N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine

C13H26N2 — CID 62437868

IUPACN',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine
SMILESC=CCN(CC=C)CCCCNCCC
InChIInChI=1S/C13H26N2/c1-4-9-14-10-7-8-13-15(11-5-2)12-6-3/h5-6,14H,2-4,7-13H2,1H3
InChIKeyMFYHAEQAMBBLJO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.44
Rot. Bonds11

About N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine

N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine (PubChem CID 62437868) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine
PubChem CID62437868
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine
SMILESC=CCN(CC=C)CCCCNCCC
InChIInChI=1S/C13H26N2/c1-4-9-14-10-7-8-13-15(11-5-2)12-6-3/h5-6,14H,2-4,7-13H2,1H3
InChIKeyMFYHAEQAMBBLJO-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
N-propylnon-8-en-1-amine
CID 107010151
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine?
The IUPAC name of N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine (CID 62437868) is N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine.
What is the SMILES notation for N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine?
The canonical SMILES for N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine is C=CCN(CC=C)CCCCNCCC.
What is the InChIKey of N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine?
The InChIKey is MFYHAEQAMBBLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-9-14-10-7-8-13-15(11-5-2)12-6-3/h5-6,14H,2-4,7-13H2,1H3.
What are the key properties of N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine?
N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine is sourced from PubChem (CID 62437868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).