N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine

C11H22N2 — CID 77110205

IUPACN'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine
SMILESCCCN(CC=CCN)CC1CC1
InChIInChI=1S/C11H22N2/c1-2-8-13(9-4-3-7-12)10-11-5-6-11/h3-4,11H,2,5-10,12H2,1H3
InChIKeyBMGMJGAXFRHDEY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds7

About N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine

N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine (PubChem CID 77110205) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine
PubChem CID77110205
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine
SMILESCCCN(CC=CCN)CC1CC1
InChIInChI=1S/C11H22N2/c1-2-8-13(9-4-3-7-12)10-11-5-6-11/h3-4,11H,2,5-10,12H2,1H3
InChIKeyBMGMJGAXFRHDEY-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine (CID 77110205) is N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine is CCCN(CC=CCN)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine?
The InChIKey is BMGMJGAXFRHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-8-13(9-4-3-7-12)10-11-5-6-11/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine?
N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-propylbut-2-ene-1,4-diamine is sourced from PubChem (CID 77110205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).