N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide

C16H31IN4O — CID 109484514

IUPACN-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC(=O)NC1CC1)NCC.I
InChIInChI=1S/C16H30N4O.HI/c1-4-6-7-8-9-12-20(3)16(17-5-2)18-13-15(21)19-14-10-11-14;/h4,14H,1,5-13H2,2-3H3,(H,17,18)(H,19,21);1H
InChIKeyBQNGJRNUVJCGSW-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.53
Rot. Bonds10

About N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide

N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide (PubChem CID 109484514) has the molecular formula C16H31IN4O and a molecular weight of 422.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
PubChem CID109484514
Molecular FormulaC16H31IN4O
Molecular Weight422.36 g/mol
Exact Mass422.15
IUPAC NameN-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC(=O)NC1CC1)NCC.I
InChIInChI=1S/C16H30N4O.HI/c1-4-6-7-8-9-12-20(3)16(17-5-2)18-13-15(21)19-14-10-11-14;/h4,14H,1,5-13H2,2-3H3,(H,17,18)(H,19,21);1H
InChIKeyBQNGJRNUVJCGSW-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483459
3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109484122
2-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109484346
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109482892
2-(3-ethoxypropyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109484295
2-[[[hept-6-enyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043724
3-ethyl-1-hept-6-enyl-1-methyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109483318
3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109483158
3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxan-4-yloxy)propyl]guanidine
CID 109484377
2-(2-tert-butylsulfonylethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483981
2-[[butylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110043703
2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109498597

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide (CID 109484514) is N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide is C=CCCCCCN(C)/C(=N/CC(=O)NC1CC1)NCC.I.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is BQNGJRNUVJCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.HI/c1-4-6-7-8-9-12-20(3)16(17-5-2)18-13-15(21)19-14-10-11-14;/h4,14H,1,5-13H2,2-3H3,(H,17,18)(H,19,21);1H.
What are the key properties of N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide?
N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 422.36 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 109484514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).