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

C14H30N2 — CID 28983352

IUPACN-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)C[C@H]1CCCCN1
InChIInChI=1S/C14H30N2/c1-3-5-11-16(12-6-4-2)13-14-9-7-8-10-15-14/h14-15H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyHZVJBJLWGZYJRZ-CQSZACIVSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds8

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

N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine (PubChem CID 28983352) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
PubChem CID28983352
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)C[C@H]1CCCCN1
InChIInChI=1S/C14H30N2/c1-3-5-11-16(12-6-4-2)13-14-9-7-8-10-15-14/h14-15H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyHZVJBJLWGZYJRZ-CQSZACIVSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106635862
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 106616669
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine (CID 28983352) is N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine is CCCCN(CCCC)C[C@H]1CCCCN1.
What is the InChIKey of N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine?
The InChIKey is HZVJBJLWGZYJRZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-5-11-16(12-6-4-2)13-14-9-7-8-10-15-14/h14-15H,3-13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine?
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 28983352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).