N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine

C19H40N2 — CID 57263929

IUPACN,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine
SMILESCCCCC(CC)CN(C=CCN)CC(CC)CCCC
InChIInChI=1S/C19H40N2/c1-5-9-12-18(7-3)16-21(15-11-14-20)17-19(8-4)13-10-6-2/h11,15,18-19H,5-10,12-14,16-17,20H2,1-4H3
InChIKeyVRQWOEZRKOOFDE-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.19
Rot. Bonds14

About N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine

N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine (PubChem CID 57263929) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine
PubChem CID57263929
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine
SMILESCCCCC(CC)CN(C=CCN)CC(CC)CCCC
InChIInChI=1S/C19H40N2/c1-5-9-12-18(7-3)16-21(15-11-14-20)17-19(8-4)13-10-6-2/h11,15,18-19H,5-10,12-14,16-17,20H2,1-4H3
InChIKeyVRQWOEZRKOOFDE-UHFFFAOYSA-N
XLogP5.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine?
The IUPAC name of N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine (CID 57263929) is N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine?
The canonical SMILES for N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine is CCCCC(CC)CN(C=CCN)CC(CC)CCCC.
What is the InChIKey of N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine?
The InChIKey is VRQWOEZRKOOFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-5-9-12-18(7-3)16-21(15-11-14-20)17-19(8-4)13-10-6-2/h11,15,18-19H,5-10,12-14,16-17,20H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine?
N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine has a molecular weight of 296.54 g/mol, XLogP of 5.19, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 57263929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).