2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine

C14H31N3 — CID 65233248

IUPAC2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H31N3/c1-12(2)14(9-15)11-17-7-5-13(6-8-17)10-16(3)4/h12-14H,5-11,15H2,1-4H3
InChIKeyDKZSPWWRZKHVJU-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.49
Rot. Bonds6

About 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine (PubChem CID 65233248) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
PubChem CID65233248
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H31N3/c1-12(2)14(9-15)11-17-7-5-13(6-8-17)10-16(3)4/h12-14H,5-11,15H2,1-4H3
InChIKeyDKZSPWWRZKHVJU-UHFFFAOYSA-N
XLogP1.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65011735
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
2-[(4-ethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233237
[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
CID 107443355
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine
CID 54985868
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 54985774
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine (CID 65233248) is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine is CC(C)C(CN)CN1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine?
The InChIKey is DKZSPWWRZKHVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)14(9-15)11-17-7-5-13(6-8-17)10-16(3)4/h12-14H,5-11,15H2,1-4H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine?
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 65233248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).