1-nitroso-N-propylbutan-1-amine

C7H16N2O — CID 23620026

IUPAC1-nitroso-N-propylbutan-1-amine
SMILESCCCNC(CCC)N=O
InChIInChI=1S/C7H16N2O/c1-3-5-7(9-10)8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyBKDDESNMGNAEAK-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.88
Rot. Bonds6

About 1-nitroso-N-propylbutan-1-amine

1-nitroso-N-propylbutan-1-amine (PubChem CID 23620026) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-nitroso-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-nitroso-N-propylbutan-1-amine
PubChem CID23620026
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-nitroso-N-propylbutan-1-amine
SMILESCCCNC(CCC)N=O
InChIInChI=1S/C7H16N2O/c1-3-5-7(9-10)8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyBKDDESNMGNAEAK-UHFFFAOYSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N'-dipropylbutane-1,1-diamine
CID 154626428
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
CID 154626252
3-chloro-2-nitrosohexane
CID 24821132
1-chloro-1-nitrosobutane
CID 91441735
ethyl 2-(propylamino)pentanoate
CID 21021838
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
3-N-propylhexane-1,3-diamine
CID 88724695
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371
N-[(3R)-3-methylhexyl]nitrous amide
CID 88966498
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-N-propylbutan-1-amine?
The IUPAC name of 1-nitroso-N-propylbutan-1-amine (CID 23620026) is 1-nitroso-N-propylbutan-1-amine.
What is the SMILES notation for 1-nitroso-N-propylbutan-1-amine?
The canonical SMILES for 1-nitroso-N-propylbutan-1-amine is CCCNC(CCC)N=O.
What is the InChIKey of 1-nitroso-N-propylbutan-1-amine?
The InChIKey is BKDDESNMGNAEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-5-7(9-10)8-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-nitroso-N-propylbutan-1-amine?
1-nitroso-N-propylbutan-1-amine has a molecular weight of 144.22 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-N-propylbutan-1-amine is sourced from PubChem (CID 23620026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).