(Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine

C11H22N2 — CID 163650549

IUPAC(Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine
SMILESC=CCN(CCCC)/C(=C\C)CN
InChIInChI=1S/C11H22N2/c1-4-7-9-13(8-5-2)11(6-3)10-12/h5-6H,2,4,7-10,12H2,1,3H3/b11-6-
InChIKeyILWYJQKYMNFDEM-WDZFZDKYSA-N
MW182.31 g/mol
LogP2.14
Rot. Bonds7

About (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine

(Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine (PubChem CID 163650549) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine
PubChem CID163650549
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine
SMILESC=CCN(CCCC)/C(=C\C)CN
InChIInChI=1S/C11H22N2/c1-4-7-9-13(8-5-2)11(6-3)10-12/h5-6H,2,4,7-10,12H2,1,3H3/b11-6-
InChIKeyILWYJQKYMNFDEM-WDZFZDKYSA-N
XLogP2.14
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 ≤ 52.14
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

1-heptyl-1-prop-2-enylthiourea
CID 20555248
pentyl(prop-2-enyl)carbamodithioic acid
CID 87918210
octadecyl(prop-2-enyl)carbamodithioic acid
CID 132820438
1,1-dibutyl-2,2-bis(prop-2-enyl)hydrazine
CID 57432921
pentyl N,N-bis(prop-2-enyl)carbamate
CID 88848482
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
2-[(1Z)-1,4,4-triamino-3-[butyl(prop-2-enyl)amino]buta-1,3-dienyl]phenol
CID 163401330
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine (CID 163650549) is (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine is C=CCN(CCCC)/C(=C\C)CN.
What is the InChIKey of (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine?
The InChIKey is ILWYJQKYMNFDEM-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-9-13(8-5-2)11(6-3)10-12/h5-6H,2,4,7-10,12H2,1,3H3/b11-6-.
What are the key properties of (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine?
(Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-butyl-2-N-prop-2-enylbut-2-ene-1,2-diamine is sourced from PubChem (CID 163650549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).