1-N-(2,2-dimethylbutyl)hexane-1,5-diamine

C12H28N2 — CID 103462285

IUPAC1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
SMILESCCC(C)(C)CNCCCCC(C)N
InChIInChI=1S/C12H28N2/c1-5-12(3,4)10-14-9-7-6-8-11(2)13/h11,14H,5-10,13H2,1-4H3
InChIKeyCERAJOMGZQIFIP-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.53
Rot. Bonds8

About 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine

1-N-(2,2-dimethylbutyl)hexane-1,5-diamine (PubChem CID 103462285) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
PubChem CID103462285
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
SMILESCCC(C)(C)CNCCCCC(C)N
InChIInChI=1S/C12H28N2/c1-5-12(3,4)10-14-9-7-6-8-11(2)13/h11,14H,5-10,13H2,1-4H3
InChIKeyCERAJOMGZQIFIP-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.53
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

1-N-(2,2-dimethylbutyl)butane-1,3-diamine
CID 103462116
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
CID 103462177
1-N-propylnonane-1,8-diamine
CID 87246434
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
N-(2,2-dimethylbutyl)hept-6-en-1-amine
CID 107007207
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346
1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
CID 102913647
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine?
The IUPAC name of 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine (CID 103462285) is 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine?
The canonical SMILES for 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine is CCC(C)(C)CNCCCCC(C)N.
What is the InChIKey of 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine?
The InChIKey is CERAJOMGZQIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-12(3,4)10-14-9-7-6-8-11(2)13/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine?
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylbutyl)hexane-1,5-diamine is sourced from PubChem (CID 103462285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).