2-methylbutane;N,N,1-trimethylpiperidin-4-amine

C13H30N2 — CID 142525400

IUPAC2-methylbutane;N,N,1-trimethylpiperidin-4-amine
SMILESCCC(C)C.CN1CCC(N(C)C)CC1
InChIInChI=1S/C8H18N2.C5H12/c1-9(2)8-4-6-10(3)7-5-8;1-4-5(2)3/h8H,4-7H2,1-3H3;5H,4H2,1-3H3
InChIKeyBHIGJNZNMOFPOT-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.69
Rot. Bonds2

About 2-methylbutane;N,N,1-trimethylpiperidin-4-amine

2-methylbutane;N,N,1-trimethylpiperidin-4-amine (PubChem CID 142525400) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-methylbutane;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name2-methylbutane;N,N,1-trimethylpiperidin-4-amine
PubChem CID142525400
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-methylbutane;N,N,1-trimethylpiperidin-4-amine
SMILESCCC(C)C.CN1CCC(N(C)C)CC1
InChIInChI=1S/C8H18N2.C5H12/c1-9(2)8-4-6-10(3)7-5-8;1-4-5(2)3/h8H,4-7H2,1-3H3;5H,4H2,1-3H3
InChIKeyBHIGJNZNMOFPOT-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
CID 169134554
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739
4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 64718593
(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108505387
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
N-iodo-N,1-dimethylpiperidin-4-amine
CID 134413074

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of 2-methylbutane;N,N,1-trimethylpiperidin-4-amine (CID 142525400) is 2-methylbutane;N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for 2-methylbutane;N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for 2-methylbutane;N,N,1-trimethylpiperidin-4-amine is CCC(C)C.CN1CCC(N(C)C)CC1.
What is the InChIKey of 2-methylbutane;N,N,1-trimethylpiperidin-4-amine?
The InChIKey is BHIGJNZNMOFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C5H12/c1-9(2)8-4-6-10(3)7-5-8;1-4-5(2)3/h8H,4-7H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;N,N,1-trimethylpiperidin-4-amine?
2-methylbutane;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 214.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 142525400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).