2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine

C14H32N2 — CID 43274343

IUPAC2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)C(C)CC
InChIInChI=1S/C14H32N2/c1-5-8-9-10-11-14(12-15)16(7-3)13(4)6-2/h13-14H,5-12,15H2,1-4H3
InChIKeyIFGKGXMLZKELBO-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.40
Rot. Bonds10

About 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine

2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine (PubChem CID 43274343) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
PubChem CID43274343
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)C(C)CC
InChIInChI=1S/C14H32N2/c1-5-8-9-10-11-14(12-15)16(7-3)13(4)6-2/h13-14H,5-12,15H2,1-4H3
InChIKeyIFGKGXMLZKELBO-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine
CID 63465047
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine (CID 43274343) is 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine is CCCCCCC(CN)N(CC)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine?
The InChIKey is IFGKGXMLZKELBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-8-9-10-11-14(12-15)16(7-3)13(4)6-2/h13-14H,5-12,15H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine is sourced from PubChem (CID 43274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).