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

C12H26N2 — CID 103440507

IUPAC[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(C(C)C(C)C)C(CN)C1
InChIInChI=1S/C12H26N2/c1-9(2)11(4)14-6-5-10(3)7-12(14)8-13/h9-12H,5-8,13H2,1-4H3
InChIKeyBTRMKKOUSRZCLB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

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

[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine (PubChem CID 103440507) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
PubChem CID103440507
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(C(C)C(C)C)C(CN)C1
InChIInChI=1S/C12H26N2/c1-9(2)11(4)14-6-5-10(3)7-12(14)8-13/h9-12H,5-8,13H2,1-4H3
InChIKeyBTRMKKOUSRZCLB-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine
CID 103442149
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
CID 103440773
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
methyl 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]butanoate
CID 103441682
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 103441911
2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103440626
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 103441880
[1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine
CID 164644701
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440659

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine (CID 103440507) is [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine is CC1CCN(C(C)C(C)C)C(CN)C1.
What is the InChIKey of [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine?
The InChIKey is BTRMKKOUSRZCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)11(4)14-6-5-10(3)7-12(14)8-13/h9-12H,5-8,13H2,1-4H3.
What are the key properties of [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine?
[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103440507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).