N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine

C9H19N — CID 134179329

IUPACN-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(CCC)C(C)C
InChIInChI=1S/C9H19N/c1-6-7-10(8(2)3)9(4)5/h9H,2,6-7H2,1,3-5H3
InChIKeyCVMBLGOEXYERFQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.64
Rot. Bonds4

About N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine

N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 134179329) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine
PubChem CID134179329
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(CCC)C(C)C
InChIInChI=1S/C9H19N/c1-6-7-10(8(2)3)9(4)5/h9H,2,6-7H2,1,3-5H3
InChIKeyCVMBLGOEXYERFQ-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-propan-2-yl-N-prop-1-en-2-ylpropan-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-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine (CID 134179329) is N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine is C=C(C)N(CCC)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is CVMBLGOEXYERFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-7-10(8(2)3)9(4)5/h9H,2,6-7H2,1,3-5H3.
What are the key properties of N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine?
N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 134179329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).