N,N-dibutylbutan-1-amine

C12H27N — CID 7622

IUPACN,N-dibutylbutan-1-amine
SMILESCCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyIMFACGCPASFAPR-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.69
Rot. Bonds9

About N,N-dibutylbutan-1-amine

N,N-dibutylbutan-1-amine (PubChem CID 7622) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine
PubChem CID7622
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N-dibutylbutan-1-amine
SMILESCCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyIMFACGCPASFAPR-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine?
The IUPAC name of N,N-dibutylbutan-1-amine (CID 7622) is N,N-dibutylbutan-1-amine.
What is the SMILES notation for N,N-dibutylbutan-1-amine?
The canonical SMILES for N,N-dibutylbutan-1-amine is CCCCN(CCCC)CCCC.
What is the InChIKey of N,N-dibutylbutan-1-amine?
The InChIKey is IMFACGCPASFAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3.
What are the key properties of N,N-dibutylbutan-1-amine?
N,N-dibutylbutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine is sourced from PubChem (CID 7622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).