N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine

C13H26N2 — CID 103070025

IUPACN-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(CNCC)CN(CC(C)C)C1CC1
InChIInChI=1S/C13H26N2/c1-5-14-8-12(4)10-15(9-11(2)3)13-6-7-13/h11,13-14H,4-10H2,1-3H3
InChIKeyCBDYVCJEBOLYCY-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds8

About N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine

N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 103070025) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID103070025
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(CNCC)CN(CC(C)C)C1CC1
InChIInChI=1S/C13H26N2/c1-5-14-8-12(4)10-15(9-11(2)3)13-6-7-13/h11,13-14H,4-10H2,1-3H3
InChIKeyCBDYVCJEBOLYCY-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
N-cyclopropyl-N'-methyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070023
N-cyclopropyl-N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 103069258
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
2-[[cyclopentyl(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073510
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429369
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070075
N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 103068902
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
N-cyclopropyl-N-(cyclopropylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 64520179
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine (CID 103070025) is N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine is C=C(CNCC)CN(CC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is CBDYVCJEBOLYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-14-8-12(4)10-15(9-11(2)3)13-6-7-13/h11,13-14H,4-10H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine?
N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 103070025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).