N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine

C12H28N2 — CID 79257480

IUPACN'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
SMILESCCCCC(C)NCCNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-6-7-8-11(2)13-9-10-14-12(3,4)5/h11,13-14H,6-10H2,1-5H3
InChIKeyXNDIWSLWHAUECT-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.54
Rot. Bonds7

About N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine

N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine (PubChem CID 79257480) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
PubChem CID79257480
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
SMILESCCCCC(C)NCCNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-6-7-8-11(2)13-9-10-14-12(3,4)5/h11,13-14H,6-10H2,1-5H3
InChIKeyXNDIWSLWHAUECT-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
CID 107446123
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
1-N-hexan-2-yl-2-methylpentane-1,2-diamine
CID 62199149
6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709258

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine (CID 79257480) is N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine is CCCCC(C)NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine?
The InChIKey is XNDIWSLWHAUECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-7-8-11(2)13-9-10-14-12(3,4)5/h11,13-14H,6-10H2,1-5H3.
What are the key properties of N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine?
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine is sourced from PubChem (CID 79257480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).