N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine

C21H40N2 — CID 3064209

IUPACN,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine
SMILESC1CCC(CN(CCN2CCCCC2)CC2CCCCC2)CC1
InChIInChI=1S/C21H40N2/c1-4-10-20(11-5-1)18-23(19-21-12-6-2-7-13-21)17-16-22-14-8-3-9-15-22/h20-21H,1-19H2
InChIKeyZSIHGWQPNXOFMX-UHFFFAOYSA-N
MW320.57 g/mol
LogP4.93
Rot. Bonds7

About N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine

N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine (PubChem CID 3064209) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine
PubChem CID3064209
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC NameN,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine
SMILESC1CCC(CN(CCN2CCCCC2)CC2CCCCC2)CC1
InChIInChI=1S/C21H40N2/c1-4-10-20(11-5-1)18-23(19-21-12-6-2-7-13-21)17-16-22-14-8-3-9-15-22/h20-21H,1-19H2
InChIKeyZSIHGWQPNXOFMX-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine?
The IUPAC name of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine (CID 3064209) is N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine is C1CCC(CN(CCN2CCCCC2)CC2CCCCC2)CC1.
What is the InChIKey of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine?
The InChIKey is ZSIHGWQPNXOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-4-10-20(11-5-1)18-23(19-21-12-6-2-7-13-21)17-16-22-14-8-3-9-15-22/h20-21H,1-19H2.
What are the key properties of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine?
N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine has a molecular weight of 320.57 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 3064209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).