1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine

C12H27N3 — CID 117038230

IUPAC1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
SMILESCCCCN(C)C1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-3-4-8-14(2)12-5-9-15(10-6-12)11-7-13/h12H,3-11,13H2,1-2H3
InChIKeyXAFYQBOXTGWLRW-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds6

About 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine

1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine (PubChem CID 117038230) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
PubChem CID117038230
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
SMILESCCCCN(C)C1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-3-4-8-14(2)12-5-9-15(10-6-12)11-7-13/h12H,3-11,13H2,1-2H3
InChIKeyXAFYQBOXTGWLRW-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65077334
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
N-butyl-1-iodo-N-methylpiperidin-4-amine
CID 155472460
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
CID 19846011
N-methyl-N-pentylcyclobutanamine
CID 142562644
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine (CID 117038230) is 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine is CCCCN(C)C1CCN(CCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine?
The InChIKey is XAFYQBOXTGWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-4-8-14(2)12-5-9-15(10-6-12)11-7-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine?
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 117038230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).