1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine

C13H29N3 — CID 65227991

IUPAC1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(C)C(CN)CN1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3/c1-11(2)12(9-14)10-16-7-5-13(6-8-16)15(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyHQYGBTNWEKQNSQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.24
Rot. Bonds5

About 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine

1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 65227991) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
PubChem CID65227991
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(C)C(CN)CN1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3/c1-11(2)12(9-14)10-16-7-5-13(6-8-16)15(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyHQYGBTNWEKQNSQ-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
CID 65233248
2-[(4-ethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233237
[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
CID 107443355
1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
CID 43585962
3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
CID 65227933
3-methyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 65233118
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 65233064
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
CID 43585763
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585844
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-3-methylbutan-1-amine
CID 79935214
1-cyclopropyl-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 63908245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine (CID 65227991) is 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine is CC(C)C(CN)CN1CCC(N(C)C)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is HQYGBTNWEKQNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)12(9-14)10-16-7-5-13(6-8-16)15(3)4/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 227.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 65227991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).