N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

C14H28N2 — CID 103069805

IUPACN-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CCCC)C1CC1
InChIInChI=1S/C14H28N2/c1-5-6-9-16(14-7-8-14)11-13(4)10-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyPYEYJEFUWBUYRZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds9

About N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103069805) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103069805
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CCCC)C1CC1
InChIInChI=1S/C14H28N2/c1-5-6-9-16(14-7-8-14)11-13(4)10-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyPYEYJEFUWBUYRZ-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-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

Related Compounds

N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
CID 103069808
N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070057
N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
N-butyl-N-cyclopropyl-2-(propan-2-ylamino)acetamide
CID 60945634
3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
CID 103071457
N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070025
N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070705
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
N-cyclopropyl-N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 103069258
2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
CID 103073276
N-cyclopropyl-N'-methyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070023

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (CID 103069805) is N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(CCCC)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is PYEYJEFUWBUYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-9-16(14-7-8-14)11-13(4)10-15-12(2)3/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103069805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).