2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine

C16H34N4 — CID 111099072

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
SMILESCC(C)CCCC(C)N/C(N)=N/CC(C)N(C)C1CC1
InChIInChI=1S/C16H34N4/c1-12(2)7-6-8-13(3)19-16(17)18-11-14(4)20(5)15-9-10-15/h12-15H,6-11H2,1-5H3,(H3,17,18,19)
InChIKeyFGTNCIGYCOACTG-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.59
Rot. Bonds9

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine

2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine (PubChem CID 111099072) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
PubChem CID111099072
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
SMILESCC(C)CCCC(C)N/C(N)=N/CC(C)N(C)C1CC1
InChIInChI=1S/C16H34N4/c1-12(2)7-6-8-13(3)19-16(17)18-11-14(4)20(5)15-9-10-15/h12-15H,6-11H2,1-5H3,(H3,17,18,19)
InChIKeyFGTNCIGYCOACTG-UHFFFAOYSA-N
XLogP2.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.59
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'}

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111099070
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111096484
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
CID 111099069
ethyl N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate
CID 111812397
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111099233
2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine
CID 110935375
1-(5-methylhexan-2-yl)-2-(2-methylpropyl)guanidine
CID 63925910
1-[(2S)-6-methylheptan-2-yl]-2-(oxan-4-ylmethyl)guanidine
CID 99816266
2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide
CID 110935374
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 143778680
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111099075
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065519

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine (CID 111099072) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine is CC(C)CCCC(C)N/C(N)=N/CC(C)N(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine?
The InChIKey is FGTNCIGYCOACTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-12(2)7-6-8-13(3)19-16(17)18-11-14(4)20(5)15-9-10-15/h12-15H,6-11H2,1-5H3,(H3,17,18,19).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine has a molecular weight of 282.48 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine is sourced from PubChem (CID 111099072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).