2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine

C14H32N2 — CID 43273520

IUPAC2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)CC(C)C
InChIInChI=1S/C14H32N2/c1-5-7-8-9-10-14(11-15)16(6-2)12-13(3)4/h13-14H,5-12,15H2,1-4H3
InChIKeyYEVWCSDRBCPHGI-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds10

About 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine

2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine (PubChem CID 43273520) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
PubChem CID43273520
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)CC(C)C
InChIInChI=1S/C14H32N2/c1-5-7-8-9-10-14(11-15)16(6-2)12-13(3)4/h13-14H,5-12,15H2,1-4H3
InChIKeyYEVWCSDRBCPHGI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine (CID 43273520) is 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine is CCCCCCC(CN)N(CC)CC(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine?
The InChIKey is YEVWCSDRBCPHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-7-8-9-10-14(11-15)16(6-2)12-13(3)4/h13-14H,5-12,15H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine?
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine is sourced from PubChem (CID 43273520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).