4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one

Name: 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₃₃NO — CID 164530903

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one

SMILESCC1CCCC(CC(NC(C)C)C(=O)C(C)C)CC1

InChIInChI=1S/C17H33NO/c1-12(2)17(19)16(18-13(3)4)11-15-8-6-7-14(5)9-10-15/h12-16,18H,6-11H2,1-5H3

InChIKeyRHEABMLLTWAQNQ-UHFFFAOYSA-N

MW267.46 g/mol

LogP4.18

Rot. Bonds6

About 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one

4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one (PubChem CID 164530903) has the molecular formula C₁₇H₃₃NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name	4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one
PubChem CID	164530903
Molecular Formula	C₁₇H₃₃NO
Molecular Weight	267.46 g/mol
Exact Mass	267.26
IUPAC Name	4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one
SMILES	CC1CCCC(CC(NC(C)C)C(=O)C(C)C)CC1
InChI	InChI=1S/C17H33NO/c1-12(2)17(19)16(18-13(3)4)11-15-8-6-7-14(5)9-10-15/h12-16,18H,6-11H2,1-5H3
InChIKey	RHEABMLLTWAQNQ-UHFFFAOYSA-N
XLogP	4.18
TPSA	29.10 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	6
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.46
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?

The IUPAC name of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one (CID 164530903) is 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one.

What is the SMILES notation for 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?

The canonical SMILES for 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one is CC1CCCC(CC(NC(C)C)C(=O)C(C)C)CC1.

What is the InChIKey of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?

The InChIKey is RHEABMLLTWAQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)17(19)16(18-13(3)4)11-15-8-6-7-14(5)9-10-15/h12-16,18H,6-11H2,1-5H3.

What are the key properties of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?

4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one has a molecular weight of 267.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 164530903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 164530903 — identifiers, structure, computed properties (public domain)

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