N-prop-1-en-2-yl-2-propoxybutan-1-amine

C10H21NO — CID 142294825

IUPACN-prop-1-en-2-yl-2-propoxybutan-1-amine
SMILESC=C(C)NCC(CC)OCCC
InChIInChI=1S/C10H21NO/c1-5-7-12-10(6-2)8-11-9(3)4/h10-11H,3,5-8H2,1-2,4H3
InChIKeyCGXSQXKBWHVVGZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.31
Rot. Bonds7

About N-prop-1-en-2-yl-2-propoxybutan-1-amine

N-prop-1-en-2-yl-2-propoxybutan-1-amine (PubChem CID 142294825) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-prop-1-en-2-yl-2-propoxybutan-1-amine.

Molecular Properties

Compound NameN-prop-1-en-2-yl-2-propoxybutan-1-amine
PubChem CID142294825
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-prop-1-en-2-yl-2-propoxybutan-1-amine
SMILESC=C(C)NCC(CC)OCCC
InChIInChI=1S/C10H21NO/c1-5-7-12-10(6-2)8-11-9(3)4/h10-11H,3,5-8H2,1-2,4H3
InChIKeyCGXSQXKBWHVVGZ-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-prop-1-en-2-yl-2-propoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yl-2-propoxybutan-1-amine?
The IUPAC name of N-prop-1-en-2-yl-2-propoxybutan-1-amine (CID 142294825) is N-prop-1-en-2-yl-2-propoxybutan-1-amine.
What is the SMILES notation for N-prop-1-en-2-yl-2-propoxybutan-1-amine?
The canonical SMILES for N-prop-1-en-2-yl-2-propoxybutan-1-amine is C=C(C)NCC(CC)OCCC.
What is the InChIKey of N-prop-1-en-2-yl-2-propoxybutan-1-amine?
The InChIKey is CGXSQXKBWHVVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-12-10(6-2)8-11-9(3)4/h10-11H,3,5-8H2,1-2,4H3.
What are the key properties of N-prop-1-en-2-yl-2-propoxybutan-1-amine?
N-prop-1-en-2-yl-2-propoxybutan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-2-propoxybutan-1-amine is sourced from PubChem (CID 142294825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).