1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide

C14H29IN4 — CID 110919769

IUPAC1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide
SMILESC=CCN(CC=C)C(CN/C(=N/C)NC)C(C)C.I
InChIInChI=1S/C14H28N4.HI/c1-7-9-18(10-8-2)13(12(3)4)11-17-14(15-5)16-6;/h7-8,12-13H,1-2,9-11H2,3-6H3,(H2,15,16,17);1H
InChIKeyRMAFDHRTNSNZKX-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.10
Rot. Bonds8

About 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide

1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110919769) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110919769
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide
SMILESC=CCN(CC=C)C(CN/C(=N/C)NC)C(C)C.I
InChIInChI=1S/C14H28N4.HI/c1-7-9-18(10-8-2)13(12(3)4)11-17-14(15-5)16-6;/h7-8,12-13H,1-2,9-11H2,3-6H3,(H2,15,16,17);1H
InChIKeyRMAFDHRTNSNZKX-UHFFFAOYSA-N
XLogP2.10
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 111535843
1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 111594001
1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111643286
1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 130768145
1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine
CID 110927065
1,2-dimethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110927044
4-[[2-[bis(prop-2-enyl)amino]-3-methylbutyl]amino]cyclohexane-1-carboxylic acid
CID 122030252
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-ethyl-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110974598
N-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433947
1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide
CID 111465658
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-ethyl-3-(3-methoxypropyl)guanidine
CID 110974599
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982962

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide (CID 110919769) is 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide is C=CCN(CC=C)C(CN/C(=N/C)NC)C(C)C.I.
What is the InChIKey of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is RMAFDHRTNSNZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-7-9-18(10-8-2)13(12(3)4)11-17-14(15-5)16-6;/h7-8,12-13H,1-2,9-11H2,3-6H3,(H2,15,16,17);1H.
What are the key properties of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide?
1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110919769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).