1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

C14H28IN3 — CID 109483008

IUPAC1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1C.I
InChIInChI=1S/C14H27N3.HI/c1-5-6-7-8-9-10-17(4)14(15-3)16-13-11-12(13)2;/h5,12-13H,1,6-11H2,2-4H3,(H,15,16);1H
InChIKeyAABPXKFIOXNYCE-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.27
Rot. Bonds7

About 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 109483008) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID109483008
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1C.I
InChIInChI=1S/C14H27N3.HI/c1-5-6-7-8-9-10-17(4)14(15-3)16-13-11-12(13)2;/h5,12-13H,1,6-11H2,2-4H3,(H,15,16);1H
InChIKeyAABPXKFIOXNYCE-UHFFFAOYSA-N
XLogP3.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
1-Butan-2-yl-2-(cyclopropylmethyl)-3-prop-2-enylguanidine;hydroiodide
CID 56826207
3-Cyclopropyl-2-ethyl-1-methyl-1-pent-4-enylguanidine
CID 99780291
3-Cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482952
3-Cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482953
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 109482954
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 109482955
1-Hept-6-enyl-1,2-dimethyl-3-propylguanidine;hydroiodide
CID 109482958
1-Hept-6-enyl-1,2-dimethyl-3-propylguanidine
CID 109482959
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine
CID 109483009
3-(Cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483024
3-(Cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483025

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 109483008) is 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NC1CC1C.I.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is AABPXKFIOXNYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-5-6-7-8-9-10-17(4)14(15-3)16-13-11-12(13)2;/h5,12-13H,1,6-11H2,2-4H3,(H,15,16);1H.
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 109483008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).