1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine

C11H25N3 — CID 60915047

IUPAC1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCC(CCN)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H25N3/c1-10(4-7-12)14-8-5-11(6-9-14)13(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyXIAVLOKPCUZDPB-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds4

About 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine

1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 60915047) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID60915047
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCC(CCN)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H25N3/c1-10(4-7-12)14-8-5-11(6-9-14)13(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyXIAVLOKPCUZDPB-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine (CID 60915047) is 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine is CC(CCN)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is XIAVLOKPCUZDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(4-7-12)14-8-5-11(6-9-14)13(2)3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine?
1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 60915047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).