N-(3-aminobutyl)-N-ethylpropanamide

C9H20N2O — CID 134484758

IUPACN-(3-aminobutyl)-N-ethylpropanamide
SMILESCCC(=O)N(CC)CCC(C)N
InChIInChI=1S/C9H20N2O/c1-4-9(12)11(5-2)7-6-8(3)10/h8H,4-7,10H2,1-3H3
InChIKeyIFVDNZYJMZIUJR-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.98
Rot. Bonds5

About N-(3-aminobutyl)-N-ethylpropanamide

N-(3-aminobutyl)-N-ethylpropanamide (PubChem CID 134484758) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(3-aminobutyl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-N-ethylpropanamide
PubChem CID134484758
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(3-aminobutyl)-N-ethylpropanamide
SMILESCCC(=O)N(CC)CCC(C)N
InChIInChI=1S/C9H20N2O/c1-4-9(12)11(5-2)7-6-8(3)10/h8H,4-7,10H2,1-3H3
InChIKeyIFVDNZYJMZIUJR-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-butyl-N-ethylhexanamide
CID 82848623
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
5-amino-N,N-diethylhexanamide
CID 82848451
N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide
CID 156860431
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide
CID 59974405
N-ethyl-N-[(2S)-2-methoxypropyl]propanamide
CID 172573690
ethane;N-ethyl-N-(4-oxopentyl)propanamide
CID 143803136
N-(3-aminobutyl)-N-methylacetamide
CID 88939316
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
CID 102992830
1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 43265715

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-N-ethylpropanamide?
The IUPAC name of N-(3-aminobutyl)-N-ethylpropanamide (CID 134484758) is N-(3-aminobutyl)-N-ethylpropanamide.
What is the SMILES notation for N-(3-aminobutyl)-N-ethylpropanamide?
The canonical SMILES for N-(3-aminobutyl)-N-ethylpropanamide is CCC(=O)N(CC)CCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-N-ethylpropanamide?
The InChIKey is IFVDNZYJMZIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-9(12)11(5-2)7-6-8(3)10/h8H,4-7,10H2,1-3H3.
What are the key properties of N-(3-aminobutyl)-N-ethylpropanamide?
N-(3-aminobutyl)-N-ethylpropanamide has a molecular weight of 172.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-N-ethylpropanamide is sourced from PubChem (CID 134484758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).