1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

C19H30N2 — CID 116517701

IUPAC1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)C2CC2c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C19H30N2/c1-14-9-11-19(12-10-14,21(2)3)18(20)17-13-16(17)15-7-5-4-6-8-15/h4-8,14,16-18H,9-13,20H2,1-3H3
InChIKeyHVNKXFQUOLBWEJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.63
Rot. Bonds4

About 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 116517701) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID116517701
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)C2CC2c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C19H30N2/c1-14-9-11-19(12-10-14,21(2)3)18(20)17-13-16(17)15-7-5-4-6-8-15/h4-8,14,16-18H,9-13,20H2,1-3H3
InChIKeyHVNKXFQUOLBWEJ-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 116517701) is 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(N)C2CC2c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is HVNKXFQUOLBWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-9-11-19(12-10-14,21(2)3)18(20)17-13-16(17)15-7-5-4-6-8-15/h4-8,14,16-18H,9-13,20H2,1-3H3.
What are the key properties of 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 116517701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).