N-ethyl-2,2-dimethylhexane-1,6-diamine

C10H24N2 — CID 142012033

IUPACN-ethyl-2,2-dimethylhexane-1,6-diamine
SMILESCCNCC(C)(C)CCCCN
InChIInChI=1S/C10H24N2/c1-4-12-9-10(2,3)7-5-6-8-11/h12H,4-9,11H2,1-3H3
InChIKeyNYAWULZHRWIOGS-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.75
Rot. Bonds7

About N-ethyl-2,2-dimethylhexane-1,6-diamine

N-ethyl-2,2-dimethylhexane-1,6-diamine (PubChem CID 142012033) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N-ethyl-2,2-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethylhexane-1,6-diamine
PubChem CID142012033
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN-ethyl-2,2-dimethylhexane-1,6-diamine
SMILESCCNCC(C)(C)CCCCN
InChIInChI=1S/C10H24N2/c1-4-12-9-10(2,3)7-5-6-8-11/h12H,4-9,11H2,1-3H3
InChIKeyNYAWULZHRWIOGS-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.75
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

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3,3-dimethylpentadecan-1-amine
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N'-(2-aminoethyl)-4,4-dimethylheptane-1,7-diamine
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N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
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N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
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2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383
N-ethylethanamine;tetradecan-1-amine
CID 174652830
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethylhexane-1,6-diamine?
The IUPAC name of N-ethyl-2,2-dimethylhexane-1,6-diamine (CID 142012033) is N-ethyl-2,2-dimethylhexane-1,6-diamine.
What is the SMILES notation for N-ethyl-2,2-dimethylhexane-1,6-diamine?
The canonical SMILES for N-ethyl-2,2-dimethylhexane-1,6-diamine is CCNCC(C)(C)CCCCN.
What is the InChIKey of N-ethyl-2,2-dimethylhexane-1,6-diamine?
The InChIKey is NYAWULZHRWIOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-12-9-10(2,3)7-5-6-8-11/h12H,4-9,11H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethylhexane-1,6-diamine?
N-ethyl-2,2-dimethylhexane-1,6-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethylhexane-1,6-diamine is sourced from PubChem (CID 142012033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).