N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine

C17H33N3 — CID 62556569

IUPACN-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-15-2-6-17(7-3-15)18-8-9-19-10-12-20(13-11-19)14-16-4-5-16/h15-18H,2-14H2,1H3
InChIKeyKAYJNDSSKAJECH-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine

N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine (PubChem CID 62556569) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine
PubChem CID62556569
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-15-2-6-17(7-3-15)18-8-9-19-10-12-20(13-11-19)14-16-4-5-16/h15-18H,2-14H2,1H3
InChIKeyKAYJNDSSKAJECH-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine (CID 62556569) is N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NCCN2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is KAYJNDSSKAJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15-2-6-17(7-3-15)18-8-9-19-10-12-20(13-11-19)14-16-4-5-16/h15-18H,2-14H2,1H3.
What are the key properties of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine?
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62556569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).