1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one

C20H41N3O3 — CID 159178545

IUPAC1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one
SMILESCC(=O)CNC1CC1.CCCCCNCC(C)=O.CCCNCC(C)=O
InChIInChI=1S/C8H17NO.C6H11NO.C6H13NO/c1-3-4-5-6-9-7-8(2)10;1-5(8)4-7-6-2-3-6;1-3-4-7-5-6(2)8/h9H,3-7H2,1-2H3;6-7H,2-4H2,1H3;7H,3-5H2,1-2H3
InChIKeyKMOYJHPZOYHADA-UHFFFAOYSA-N
MW371.57 g/mol
LogP2.26
Rot. Bonds13

About 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one

1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one (PubChem CID 159178545) has the molecular formula C20H41N3O3 and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one
PubChem CID159178545
Molecular FormulaC20H41N3O3
Molecular Weight371.57 g/mol
Exact Mass371.31
IUPAC Name1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one
SMILESCC(=O)CNC1CC1.CCCCCNCC(C)=O.CCCNCC(C)=O
InChIInChI=1S/C8H17NO.C6H11NO.C6H13NO/c1-3-4-5-6-9-7-8(2)10;1-5(8)4-7-6-2-3-6;1-3-4-7-5-6(2)8/h9H,3-7H2,1-2H3;6-7H,2-4H2,1H3;7H,3-5H2,1-2H3
InChIKeyKMOYJHPZOYHADA-UHFFFAOYSA-N
XLogP2.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutylamino)propan-2-one
CID 21335373
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one?
The IUPAC name of 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one (CID 159178545) is 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one?
The canonical SMILES for 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one is CC(=O)CNC1CC1.CCCCCNCC(C)=O.CCCNCC(C)=O.
What is the InChIKey of 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one?
The InChIKey is KMOYJHPZOYHADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C6H11NO.C6H13NO/c1-3-4-5-6-9-7-8(2)10;1-5(8)4-7-6-2-3-6;1-3-4-7-5-6(2)8/h9H,3-7H2,1-2H3;6-7H,2-4H2,1H3;7H,3-5H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one?
1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one has a molecular weight of 371.57 g/mol, XLogP of 2.26, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one is sourced from PubChem (CID 159178545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).