N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine

C15H32N2 — CID 113430567

IUPACN-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(C)CCCCN1
InChIInChI=1S/C15H32N2/c1-4-6-12-17(13-7-5-2)14-15(3)10-8-9-11-16-15/h16H,4-14H2,1-3H3
InChIKeyBKWKQLAWBNSJFZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine

N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine (PubChem CID 113430567) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
PubChem CID113430567
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(C)CCCCN1
InChIInChI=1S/C15H32N2/c1-4-6-12-17(13-7-5-2)14-15(3)10-8-9-11-16-15/h16H,4-14H2,1-3H3
InChIKeyBKWKQLAWBNSJFZ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 104594977
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932
N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 102994386
N-ethyl-N-[(2-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
CID 104595227
N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 104595168
N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
CID 104595090
N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 104594837
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594706
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 104595249
N-(cyclobutylmethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 107399295
N-(furan-2-ylmethyl)-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104594869
1-[(dibutylamino)methyl]cyclobutan-1-amine
CID 81168233

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine (CID 113430567) is N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine is CCCCN(CCCC)CC1(C)CCCCN1.
What is the InChIKey of N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The InChIKey is BKWKQLAWBNSJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-6-12-17(13-7-5-2)14-15(3)10-8-9-11-16-15/h16H,4-14H2,1-3H3.
What are the key properties of N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 113430567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).