N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine

C12H26N2 — CID 61387261

IUPACN'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)C(C)C1CC1
InChIInChI=1S/C12H26N2/c1-4-8-13-9-5-10-14(3)11(2)12-6-7-12/h11-13H,4-10H2,1-3H3
InChIKeyPAACMUWOTOYODU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds8

About N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine

N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 61387261) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID61387261
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)C(C)C1CC1
InChIInChI=1S/C12H26N2/c1-4-8-13-9-5-10-14(3)11(2)12-6-7-12/h11-13H,4-10H2,1-3H3
InChIKeyPAACMUWOTOYODU-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine 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'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine (CID 61387261) is N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine is CCCNCCCN(C)C(C)C1CC1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is PAACMUWOTOYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-8-13-9-5-10-14(3)11(2)12-6-7-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine?
N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 61387261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).