N,N-dibutylcyclohexanamine

C14H29N — CID 10104589

IUPACN,N-dibutylcyclohexanamine
SMILESCCCCN(CCCC)C1CCCCC1
InChIInChI=1S/C14H29N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h14H,3-13H2,1-2H3
InChIKeyHTDCNKTXDLRMHZ-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.22
Rot. Bonds7

About N,N-dibutylcyclohexanamine

N,N-dibutylcyclohexanamine (PubChem CID 10104589) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,N-dibutylcyclohexanamine.

Molecular Properties

Compound NameN,N-dibutylcyclohexanamine
PubChem CID10104589
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,N-dibutylcyclohexanamine
SMILESCCCCN(CCCC)C1CCCCC1
InChIInChI=1S/C14H29N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h14H,3-13H2,1-2H3
InChIKeyHTDCNKTXDLRMHZ-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylcyclohexanamine?
The IUPAC name of N,N-dibutylcyclohexanamine (CID 10104589) is N,N-dibutylcyclohexanamine.
What is the SMILES notation for N,N-dibutylcyclohexanamine?
The canonical SMILES for N,N-dibutylcyclohexanamine is CCCCN(CCCC)C1CCCCC1.
What is the InChIKey of N,N-dibutylcyclohexanamine?
The InChIKey is HTDCNKTXDLRMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h14H,3-13H2,1-2H3.
What are the key properties of N,N-dibutylcyclohexanamine?
N,N-dibutylcyclohexanamine has a molecular weight of 211.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylcyclohexanamine is sourced from PubChem (CID 10104589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).