N,N-bis(piperidin-1-ylmethyl)cyclohexanamine

C18H35N3 — CID 174740959

IUPACN,N-bis(piperidin-1-ylmethyl)cyclohexanamine
SMILESC1CCC(N(CN2CCCCC2)CN2CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-4-10-18(11-5-1)21(16-19-12-6-2-7-13-19)17-20-14-8-3-9-15-20/h18H,1-17H2
InChIKeyGJEGAHCVDLETLP-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.51
Rot. Bonds5

About N,N-bis(piperidin-1-ylmethyl)cyclohexanamine

N,N-bis(piperidin-1-ylmethyl)cyclohexanamine (PubChem CID 174740959) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N,N-bis(piperidin-1-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN,N-bis(piperidin-1-ylmethyl)cyclohexanamine
PubChem CID174740959
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN,N-bis(piperidin-1-ylmethyl)cyclohexanamine
SMILESC1CCC(N(CN2CCCCC2)CN2CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-4-10-18(11-5-1)21(16-19-12-6-2-7-13-19)17-20-14-8-3-9-15-20/h18H,1-17H2
InChIKeyGJEGAHCVDLETLP-UHFFFAOYSA-N
XLogP3.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-1-ylmethyl)cyclohexanamine
CID 142673635
N-(2-chloroethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913597
N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913798
[cyclohexyl(hydroxymethyl)amino]methanol
CID 14205712
N,N-diethylcycloundecanamine
CID 163828609
N,N-bis(triazol-1-ylmethyl)cyclohexanamine
CID 70401615
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
N,N-dipropylcyclodecanamine
CID 139723962
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 111114274

Frequently Asked Questions

What is the IUPAC name of N,N-bis(piperidin-1-ylmethyl)cyclohexanamine?
The IUPAC name of N,N-bis(piperidin-1-ylmethyl)cyclohexanamine (CID 174740959) is N,N-bis(piperidin-1-ylmethyl)cyclohexanamine.
What is the SMILES notation for N,N-bis(piperidin-1-ylmethyl)cyclohexanamine?
The canonical SMILES for N,N-bis(piperidin-1-ylmethyl)cyclohexanamine is C1CCC(N(CN2CCCCC2)CN2CCCCC2)CC1.
What is the InChIKey of N,N-bis(piperidin-1-ylmethyl)cyclohexanamine?
The InChIKey is GJEGAHCVDLETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-10-18(11-5-1)21(16-19-12-6-2-7-13-19)17-20-14-8-3-9-15-20/h18H,1-17H2.
What are the key properties of N,N-bis(piperidin-1-ylmethyl)cyclohexanamine?
N,N-bis(piperidin-1-ylmethyl)cyclohexanamine has a molecular weight of 293.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(piperidin-1-ylmethyl)cyclohexanamine is sourced from PubChem (CID 174740959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).