N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine

C15H30N2 — CID 154938731

IUPACN'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine
SMILESC=CCN(CCC)CCN(CCC)CC(=C)C
InChIInChI=1S/C15H30N2/c1-6-9-16(10-7-2)12-13-17(11-8-3)14-15(4)5/h6H,1,4,7-14H2,2-3,5H3
InChIKeyMCLKDKQXCQSSDU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds11

About N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine

N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine (PubChem CID 154938731) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine
PubChem CID154938731
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine
SMILESC=CCN(CCC)CCN(CCC)CC(=C)C
InChIInChI=1S/C15H30N2/c1-6-9-16(10-7-2)12-13-17(11-8-3)14-15(4)5/h6H,1,4,7-14H2,2-3,5H3
InChIKeyMCLKDKQXCQSSDU-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
N'-prop-2-enyl-N'-propylethane-1,2-diamine
CID 54159625
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine
CID 87439385
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
2-imino-N,N-dipropylpent-4-en-1-amine
CID 137453469
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
N-(oxiran-2-ylmethyl)-N-prop-2-enylpropan-1-amine
CID 22182928
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?
The IUPAC name of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine (CID 154938731) is N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?
The canonical SMILES for N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine is C=CCN(CCC)CCN(CCC)CC(=C)C.
What is the InChIKey of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?
The InChIKey is MCLKDKQXCQSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-9-16(10-7-2)12-13-17(11-8-3)14-15(4)5/h6H,1,4,7-14H2,2-3,5H3.
What are the key properties of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?
N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 154938731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).