1-N,1-N-diethylhexane-1,4-diamine

C10H24N2 — CID 86612309

IUPAC1-N,1-N-diethylhexane-1,4-diamine
SMILESCCC(N)CCCN(CC)CC
InChIInChI=1S/C10H24N2/c1-4-10(11)8-7-9-12(5-2)6-3/h10H,4-9,11H2,1-3H3
InChIKeyXWINJEXZNYJJKU-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.85
Rot. Bonds7

About 1-N,1-N-diethylhexane-1,4-diamine

1-N,1-N-diethylhexane-1,4-diamine (PubChem CID 86612309) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,1-N-diethylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethylhexane-1,4-diamine
PubChem CID86612309
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,1-N-diethylhexane-1,4-diamine
SMILESCCC(N)CCCN(CC)CC
InChIInChI=1S/C10H24N2/c1-4-10(11)8-7-9-12(5-2)6-3/h10H,4-9,11H2,1-3H3
InChIKeyXWINJEXZNYJJKU-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-5-(diethylamino)pentan-1-ol
CID 131859240
tridecan-3-amine
CID 19435959
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
CID 102994441
1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride
CID 69456061
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
ethane;hexan-3-amine
CID 143616305
hexane-1,4-diamine;hydrochloride
CID 118144198

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethylhexane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethylhexane-1,4-diamine (CID 86612309) is 1-N,1-N-diethylhexane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethylhexane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethylhexane-1,4-diamine is CCC(N)CCCN(CC)CC.
What is the InChIKey of 1-N,1-N-diethylhexane-1,4-diamine?
The InChIKey is XWINJEXZNYJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-10(11)8-7-9-12(5-2)6-3/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-N,1-N-diethylhexane-1,4-diamine?
1-N,1-N-diethylhexane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethylhexane-1,4-diamine is sourced from PubChem (CID 86612309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).