1-(propan-2-ylamino)heptan-3-one

C10H21NO — CID 116556374

IUPAC1-(propan-2-ylamino)heptan-3-one
SMILESCCCCC(=O)CCNC(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-10(12)7-8-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMHEHUXUIFZCKOE-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.13
Rot. Bonds7

About 1-(propan-2-ylamino)heptan-3-one

1-(propan-2-ylamino)heptan-3-one (PubChem CID 116556374) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(propan-2-ylamino)heptan-3-one.

Molecular Properties

Compound Name1-(propan-2-ylamino)heptan-3-one
PubChem CID116556374
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(propan-2-ylamino)heptan-3-one
SMILESCCCCC(=O)CCNC(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-10(12)7-8-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMHEHUXUIFZCKOE-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
CID 116556500
1-ethylsulfonyl-6-(propan-2-ylamino)hexan-3-one
CID 106736244
S-sulfanyl 3-(propan-2-ylamino)propanethioate
CID 134462355
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
1-(propan-2-ylamino)oct-6-yn-3-one
CID 116556591
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
1,7-bis(propan-2-ylamino)heptan-2-one
CID 87627017
dodecan-5-one
CID 29771
methanol;octan-4-one
CID 174820687
N-propan-2-ylbutan-1-amine chloride
CID 19629099
tridecane-4,9-dione
CID 166698782
3-(propan-2-ylamino)propanamide
CID 18768059

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)heptan-3-one?
The IUPAC name of 1-(propan-2-ylamino)heptan-3-one (CID 116556374) is 1-(propan-2-ylamino)heptan-3-one.
What is the SMILES notation for 1-(propan-2-ylamino)heptan-3-one?
The canonical SMILES for 1-(propan-2-ylamino)heptan-3-one is CCCCC(=O)CCNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)heptan-3-one?
The InChIKey is MHEHUXUIFZCKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-10(12)7-8-11-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)heptan-3-one?
1-(propan-2-ylamino)heptan-3-one has a molecular weight of 171.28 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)heptan-3-one is sourced from PubChem (CID 116556374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).