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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Related Compounds

1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
CID 62432463
3-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 61224022
N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
CID 62432465
N,N-dimethyl-1-[1-(propan-2-ylamino)propan-2-yl]piperidin-4-amine
CID 62433161
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
3-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63971694
1-(4-amino-3-methylbutan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 79408643
1-(1-aminopropan-2-yl)-N-cyclopropyl-N-methylpiperidin-4-amine
CID 83835132
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585844
methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
CID 63382676
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510

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).