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

C16H33N3 — CID 114960152

IUPAC[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine
SMILESCC1CCN(C2CCCN(C(C)C)CC2)CC1CN
InChIInChI=1S/C16H33N3/c1-13(2)18-8-4-5-16(7-10-18)19-9-6-14(3)15(11-17)12-19/h13-16H,4-12,17H2,1-3H3
InChIKeyHIJWYRUFMOBELQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds3

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

[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine (PubChem CID 114960152) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine
PubChem CID114960152
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine
SMILESCC1CCN(C2CCCN(C(C)C)CC2)CC1CN
InChIInChI=1S/C16H33N3/c1-13(2)18-8-4-5-16(7-10-18)19-9-6-14(3)15(11-17)12-19/h13-16H,4-12,17H2,1-3H3
InChIKeyHIJWYRUFMOBELQ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,2-dimethylpiperidin-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960031
[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960162
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
CID 65077738
[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
CID 106823035
[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
CID 114959788
3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
1-(1-ethylazepan-4-yl)-4-methylpiperidin-3-amine
CID 65077439
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
CID 66203370

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine (CID 114960152) is [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine is CC1CCN(C2CCCN(C(C)C)CC2)CC1CN.
What is the InChIKey of [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine?
The InChIKey is HIJWYRUFMOBELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)18-8-4-5-16(7-10-18)19-9-6-14(3)15(11-17)12-19/h13-16H,4-12,17H2,1-3H3.
What are the key properties of [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine?
[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114960152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).