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

C16H33N3 — CID 65077738

IUPAC[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
SMILESCC1CCCN(C2CCCN(C(C)C)CC2)C1CN
InChIInChI=1S/C16H33N3/c1-13(2)18-9-5-7-15(8-11-18)19-10-4-6-14(3)16(19)12-17/h13-16H,4-12,17H2,1-3H3
InChIKeyVIUGVOXIHOEMET-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds3

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

[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine (PubChem CID 65077738) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
PubChem CID65077738
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
SMILESCC1CCCN(C2CCCN(C(C)C)CC2)C1CN
InChIInChI=1S/C16H33N3/c1-13(2)18-9-5-7-15(8-11-18)19-10-4-6-14(3)16(19)12-17/h13-16H,4-12,17H2,1-3H3
InChIKeyVIUGVOXIHOEMET-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclopropyl-3-methylpiperidin-2-yl)methanamine
CID 103439574
[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
CID 65085773
[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine
CID 130622217
[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
CID 65085772
[4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
CID 103351961
[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine
CID 114960152
4-methyl-5-(1-propan-2-ylazepan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212234
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol
CID 130503327
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
(2R)-2-methyl-4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 169054191

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine (CID 65077738) is [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine is CC1CCCN(C2CCCN(C(C)C)CC2)C1CN.
What is the InChIKey of [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
The InChIKey is VIUGVOXIHOEMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)18-9-5-7-15(8-11-18)19-10-4-6-14(3)16(19)12-17/h13-16H,4-12,17H2,1-3H3.
What are the key properties of [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 65077738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).