4-[cycloheptyl(methyl)amino]pentan-2-one

C13H25NO — CID 64696664

IUPAC4-[cycloheptyl(methyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(C)C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-11(10-12(2)15)14(3)13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3
InChIKeyDDLQCQPLNGGSQQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.01
Rot. Bonds4

About 4-[cycloheptyl(methyl)amino]pentan-2-one

4-[cycloheptyl(methyl)amino]pentan-2-one (PubChem CID 64696664) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[cycloheptyl(methyl)amino]pentan-2-one.

Molecular Properties

Compound Name4-[cycloheptyl(methyl)amino]pentan-2-one
PubChem CID64696664
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[cycloheptyl(methyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(C)C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-11(10-12(2)15)14(3)13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3
InChIKeyDDLQCQPLNGGSQQ-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopentyl(methyl)amino]pentan-2-one
CID 64698717
4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
CID 64696261
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
N-butan-2-yl-N-cycloheptylacetamide
CID 102519619
3-[(4-aminocyclohexyl)-methylamino]butanoic acid
CID 79121835
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
1-[cyclopentyl(methyl)amino]propan-1-ol
CID 175919705
3-[methyl(thian-3-yl)amino]butanoic acid
CID 110838575

Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptyl(methyl)amino]pentan-2-one?
The IUPAC name of 4-[cycloheptyl(methyl)amino]pentan-2-one (CID 64696664) is 4-[cycloheptyl(methyl)amino]pentan-2-one.
What is the SMILES notation for 4-[cycloheptyl(methyl)amino]pentan-2-one?
The canonical SMILES for 4-[cycloheptyl(methyl)amino]pentan-2-one is CC(=O)CC(C)N(C)C1CCCCCC1.
What is the InChIKey of 4-[cycloheptyl(methyl)amino]pentan-2-one?
The InChIKey is DDLQCQPLNGGSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(10-12(2)15)14(3)13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-[cycloheptyl(methyl)amino]pentan-2-one?
4-[cycloheptyl(methyl)amino]pentan-2-one has a molecular weight of 211.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptyl(methyl)amino]pentan-2-one is sourced from PubChem (CID 64696664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).