N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine

C14H32N2 — CID 81080597

IUPACN'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
SMILESCCCCN(CCC(CC)CN)C(C)CC
InChIInChI=1S/C14H32N2/c1-5-8-10-16(13(4)6-2)11-9-14(7-3)12-15/h13-14H,5-12,15H2,1-4H3
InChIKeyFVIXYMGFWAYJJU-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds10

About N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine

N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine (PubChem CID 81080597) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
PubChem CID81080597
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
SMILESCCCCN(CCC(CC)CN)C(C)CC
InChIInChI=1S/C14H32N2/c1-5-8-10-16(13(4)6-2)11-9-14(7-3)12-15/h13-14H,5-12,15H2,1-4H3
InChIKeyFVIXYMGFWAYJJU-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
N'-butyl-N',2-diethylbutane-1,4-diamine
CID 81079998
(2S)-2-ethylhexan-1-amine
CID 6999997
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
2-ethylhexan-1-amine;hydrate
CID 173045208
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
N,N-dipropylbutan-2-amine
CID 524229
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
N,N-dibutylpentan-2-amine;hydrate
CID 172857272

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine?
The IUPAC name of N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine (CID 81080597) is N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine?
The canonical SMILES for N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine is CCCCN(CCC(CC)CN)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine?
The InChIKey is FVIXYMGFWAYJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-8-10-16(13(4)6-2)11-9-14(7-3)12-15/h13-14H,5-12,15H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine?
N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine is sourced from PubChem (CID 81080597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).