6-[bis(cyclopropylmethyl)amino]hexan-3-one

C14H25NO — CID 106801480

IUPAC6-[bis(cyclopropylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC1CC1)CC1CC1
InChIInChI=1S/C14H25NO/c1-2-14(16)4-3-9-15(10-12-5-6-12)11-13-7-8-13/h12-13H,2-11H2,1H3
InChIKeyFGPZMKZHIZBVND-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds9

About 6-[bis(cyclopropylmethyl)amino]hexan-3-one

6-[bis(cyclopropylmethyl)amino]hexan-3-one (PubChem CID 106801480) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-[bis(cyclopropylmethyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[bis(cyclopropylmethyl)amino]hexan-3-one
PubChem CID106801480
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-[bis(cyclopropylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC1CC1)CC1CC1
InChIInChI=1S/C14H25NO/c1-2-14(16)4-3-9-15(10-12-5-6-12)11-13-7-8-13/h12-13H,2-11H2,1H3
InChIKeyFGPZMKZHIZBVND-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614
5-[cyclopropylmethyl(ethyl)amino]pentanehydrazide
CID 63940685
4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
CID 77022682
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
6-[ethyl(methyl)amino]hexan-3-one
CID 106801171
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
heptadecane-3,7,11,15-tetrone
CID 160942813
4-[bis(cyclopropylmethyl)amino]-2-ethylbut-2-enoic acid
CID 77102125
2-[ethyl(4-oxohexyl)amino]-N-methylacetamide
CID 106801333
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958

Frequently Asked Questions

What is the IUPAC name of 6-[bis(cyclopropylmethyl)amino]hexan-3-one?
The IUPAC name of 6-[bis(cyclopropylmethyl)amino]hexan-3-one (CID 106801480) is 6-[bis(cyclopropylmethyl)amino]hexan-3-one.
What is the SMILES notation for 6-[bis(cyclopropylmethyl)amino]hexan-3-one?
The canonical SMILES for 6-[bis(cyclopropylmethyl)amino]hexan-3-one is CCC(=O)CCCN(CC1CC1)CC1CC1.
What is the InChIKey of 6-[bis(cyclopropylmethyl)amino]hexan-3-one?
The InChIKey is FGPZMKZHIZBVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-14(16)4-3-9-15(10-12-5-6-12)11-13-7-8-13/h12-13H,2-11H2,1H3.
What are the key properties of 6-[bis(cyclopropylmethyl)amino]hexan-3-one?
6-[bis(cyclopropylmethyl)amino]hexan-3-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(cyclopropylmethyl)amino]hexan-3-one is sourced from PubChem (CID 106801480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).