N'-butyl-N',2-diethylbutane-1,4-diamine

C12H28N2 — CID 81079998

IUPACN'-butyl-N',2-diethylbutane-1,4-diamine
SMILESCCCCN(CC)CCC(CC)CN
InChIInChI=1S/C12H28N2/c1-4-7-9-14(6-3)10-8-12(5-2)11-13/h12H,4-11,13H2,1-3H3
InChIKeyISDJOUBLVVZAGP-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds9

About N'-butyl-N',2-diethylbutane-1,4-diamine

N'-butyl-N',2-diethylbutane-1,4-diamine (PubChem CID 81079998) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-butyl-N',2-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-butyl-N',2-diethylbutane-1,4-diamine
PubChem CID81079998
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-butyl-N',2-diethylbutane-1,4-diamine
SMILESCCCCN(CC)CCC(CC)CN
InChIInChI=1S/C12H28N2/c1-4-7-9-14(6-3)10-8-12(5-2)11-13/h12H,4-11,13H2,1-3H3
InChIKeyISDJOUBLVVZAGP-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
CID 135177575
N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
CID 81080597
(2S)-2-ethylhexan-1-amine
CID 6999997
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
CID 81079886
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
CID 102994441
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
CID 81079900
N-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N',2-diethylbutane-1,4-diamine?
The IUPAC name of N'-butyl-N',2-diethylbutane-1,4-diamine (CID 81079998) is N'-butyl-N',2-diethylbutane-1,4-diamine.
What is the SMILES notation for N'-butyl-N',2-diethylbutane-1,4-diamine?
The canonical SMILES for N'-butyl-N',2-diethylbutane-1,4-diamine is CCCCN(CC)CCC(CC)CN.
What is the InChIKey of N'-butyl-N',2-diethylbutane-1,4-diamine?
The InChIKey is ISDJOUBLVVZAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-7-9-14(6-3)10-8-12(5-2)11-13/h12H,4-11,13H2,1-3H3.
What are the key properties of N'-butyl-N',2-diethylbutane-1,4-diamine?
N'-butyl-N',2-diethylbutane-1,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N',2-diethylbutane-1,4-diamine is sourced from PubChem (CID 81079998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).