N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine

C17H33N3 — CID 62557787

IUPACN-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
SMILESC1CCC(CNCCN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-2-4-16(5-3-1)14-18-8-9-19-10-12-20(13-11-19)15-17-6-7-17/h16-18H,1-15H2
InChIKeyDBQPCGJKPQXYFT-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.18
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine

N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine (PubChem CID 62557787) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
PubChem CID62557787
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
SMILESC1CCC(CNCCN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-2-4-16(5-3-1)14-18-8-9-19-10-12-20(13-11-19)15-17-6-7-17/h16-18H,1-15H2
InChIKeyDBQPCGJKPQXYFT-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine (CID 62557787) is N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine is C1CCC(CNCCN2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine?
The InChIKey is DBQPCGJKPQXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-4-16(5-3-1)14-18-8-9-19-10-12-20(13-11-19)15-17-6-7-17/h16-18H,1-15H2.
What are the key properties of N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine?
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine has a molecular weight of 279.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 62557787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).