N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine

C13H30N2 — CID 155107081

IUPACN-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine
SMILESCCCCCN(CCC)CCN(C)CC
InChIInChI=1S/C13H30N2/c1-5-8-9-11-15(10-6-2)13-12-14(4)7-3/h5-13H2,1-4H3
InChIKeyJZORHXMRFQRSEA-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.84
Rot. Bonds10

About N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine

N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine (PubChem CID 155107081) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine
PubChem CID155107081
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine
SMILESCCCCCN(CCC)CCN(C)CC
InChIInChI=1S/C13H30N2/c1-5-8-9-11-15(10-6-2)13-12-14(4)7-3/h5-13H2,1-4H3
InChIKeyJZORHXMRFQRSEA-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N-ethyl-N-methyltridecan-1-amine
CID 71442842
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine
CID 150336952
N'-[2-(dioctylamino)ethyl]-N,N,N'-trioctylethane-1,2-diamine
CID 88792615
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
N-ethyl-N-methyloctadecan-1-amine;hydrochloride
CID 174373981
N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N-dioctyloctan-1-amine
CID 14227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine (CID 155107081) is N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine is CCCCCN(CCC)CCN(C)CC.
What is the InChIKey of N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine?
The InChIKey is JZORHXMRFQRSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-8-9-11-15(10-6-2)13-12-14(4)7-3/h5-13H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine?
N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 155107081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).