N,N-dibutyl-3-methylbutan-1-amine

C13H29N — CID 20558830

IUPACN,N-dibutyl-3-methylbutan-1-amine
SMILESCCCCN(CCCC)CCC(C)C
InChIInChI=1S/C13H29N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h13H,5-12H2,1-4H3
InChIKeyISKSBOLDFHAMEZ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.93
Rot. Bonds9

About N,N-dibutyl-3-methylbutan-1-amine

N,N-dibutyl-3-methylbutan-1-amine (PubChem CID 20558830) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,N-dibutyl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-methylbutan-1-amine
PubChem CID20558830
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,N-dibutyl-3-methylbutan-1-amine
SMILESCCCCN(CCCC)CCC(C)C
InChIInChI=1S/C13H29N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h13H,5-12H2,1-4H3
InChIKeyISKSBOLDFHAMEZ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methylbutan-1-amine?
The IUPAC name of N,N-dibutyl-3-methylbutan-1-amine (CID 20558830) is N,N-dibutyl-3-methylbutan-1-amine.
What is the SMILES notation for N,N-dibutyl-3-methylbutan-1-amine?
The canonical SMILES for N,N-dibutyl-3-methylbutan-1-amine is CCCCN(CCCC)CCC(C)C.
What is the InChIKey of N,N-dibutyl-3-methylbutan-1-amine?
The InChIKey is ISKSBOLDFHAMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h13H,5-12H2,1-4H3.
What are the key properties of N,N-dibutyl-3-methylbutan-1-amine?
N,N-dibutyl-3-methylbutan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methylbutan-1-amine is sourced from PubChem (CID 20558830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).