N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine

C14H33N3 — CID 59929730

IUPACN'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
SMILESCCCCC(CC)CNCCCNCCCN
InChIInChI=1S/C14H33N3/c1-3-5-8-14(4-2)13-17-12-7-11-16-10-6-9-15/h14,16-17H,3-13,15H2,1-2H3
InChIKeyPORAFGMRWDOGLJ-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.12
Rot. Bonds13

About N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine

N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine (PubChem CID 59929730) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
PubChem CID59929730
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
SMILESCCCCC(CC)CNCCCNCCCN
InChIInChI=1S/C14H33N3/c1-3-5-8-14(4-2)13-17-12-7-11-16-10-6-9-15/h14,16-17H,3-13,15H2,1-2H3
InChIKeyPORAFGMRWDOGLJ-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
5-ethyl-N-propylnonan-1-amine
CID 64504205
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine (CID 59929730) is N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine is CCCCC(CC)CNCCCNCCCN.
What is the InChIKey of N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine?
The InChIKey is PORAFGMRWDOGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-3-5-8-14(4-2)13-17-12-7-11-16-10-6-9-15/h14,16-17H,3-13,15H2,1-2H3.
What are the key properties of N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine?
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.12, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 59929730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).