2-N,2-N-diethyloctadecane-1,2-diamine

C22H48N2 — CID 142627498

IUPAC2-N,2-N-diethyloctadecane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCC(CN)N(CC)CC
InChIInChI=1S/C22H48N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23)24(5-2)6-3/h22H,4-21,23H2,1-3H3
InChIKeyLAJZECCBYRTYST-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.53
Rot. Bonds19

About 2-N,2-N-diethyloctadecane-1,2-diamine

2-N,2-N-diethyloctadecane-1,2-diamine (PubChem CID 142627498) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2-N,2-N-diethyloctadecane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyloctadecane-1,2-diamine
PubChem CID142627498
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC Name2-N,2-N-diethyloctadecane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCC(CN)N(CC)CC
InChIInChI=1S/C22H48N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23)24(5-2)6-3/h22H,4-21,23H2,1-3H3
InChIKeyLAJZECCBYRTYST-UHFFFAOYSA-N
XLogP6.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.53
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-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-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
N,N-diethyltridecan-4-amine
CID 159822270
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355
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,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
CID 43274343
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N-(cyclopropylmethyl)-2-N-propylnonane-1,2-diamine
CID 63472517

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyloctadecane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyloctadecane-1,2-diamine (CID 142627498) is 2-N,2-N-diethyloctadecane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyloctadecane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyloctadecane-1,2-diamine is CCCCCCCCCCCCCCCCC(CN)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyloctadecane-1,2-diamine?
The InChIKey is LAJZECCBYRTYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23)24(5-2)6-3/h22H,4-21,23H2,1-3H3.
What are the key properties of 2-N,2-N-diethyloctadecane-1,2-diamine?
2-N,2-N-diethyloctadecane-1,2-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.53, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyloctadecane-1,2-diamine is sourced from PubChem (CID 142627498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).