2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine

C18H30N2 — CID 62616237

IUPAC2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
SMILESCC(C)N(Cc1ccccc1)CC1CCCCCC1N
InChIInChI=1S/C18H30N2/c1-15(2)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-18(17)19/h3,5-6,9-10,15,17-18H,4,7-8,11-14,19H2,1-2H3
InChIKeyLQBPFZHQFHYQJV-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.80
Rot. Bonds5

About 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine

2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine (PubChem CID 62616237) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
PubChem CID62616237
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
SMILESCC(C)N(Cc1ccccc1)CC1CCCCCC1N
InChIInChI=1S/C18H30N2/c1-15(2)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-18(17)19/h3,5-6,9-10,15,17-18H,4,7-8,11-14,19H2,1-2H3
InChIKeyLQBPFZHQFHYQJV-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62615898
3-[[benzyl(propan-2-yl)amino]methyl]-1-methylpiperidin-4-amine
CID 82171540
2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine
CID 55094082
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 130758158
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102
CID 162338619
CID 162338619
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 66567140
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine?
The IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine (CID 62616237) is 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine is CC(C)N(Cc1ccccc1)CC1CCCCCC1N.
What is the InChIKey of 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine?
The InChIKey is LQBPFZHQFHYQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-18(17)19/h3,5-6,9-10,15,17-18H,4,7-8,11-14,19H2,1-2H3.
What are the key properties of 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine?
2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62616237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).