2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine

C16H36N2 — CID 173233683

IUPAC2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine
SMILESCCC(CC)CNCC(CC)NC(C)(C)C(C)C
InChIInChI=1S/C16H36N2/c1-8-14(9-2)11-17-12-15(10-3)18-16(6,7)13(4)5/h13-15,17-18H,8-12H2,1-7H3
InChIKeyLSALAGNQUUTXPV-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.82
Rot. Bonds10

About 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine

2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine (PubChem CID 173233683) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine
PubChem CID173233683
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine
SMILESCCC(CC)CNCC(CC)NC(C)(C)C(C)C
InChIInChI=1S/C16H36N2/c1-8-14(9-2)11-17-12-15(10-3)18-16(6,7)13(4)5/h13-15,17-18H,8-12H2,1-7H3
InChIKeyLSALAGNQUUTXPV-UHFFFAOYSA-N
XLogP3.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-ditert-butylbutane-1,2-diamine
CID 58903016
2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
CID 107155601
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
CID 115756804
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
2-ethyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115757001
3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
CID 115592465
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine (CID 173233683) is 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine is CCC(CC)CNCC(CC)NC(C)(C)C(C)C.
What is the InChIKey of 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine?
The InChIKey is LSALAGNQUUTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-14(9-2)11-17-12-15(10-3)18-16(6,7)13(4)5/h13-15,17-18H,8-12H2,1-7H3.
What are the key properties of 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine?
2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine is sourced from PubChem (CID 173233683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).