1-N,1-N'-diethyldecane-1,1-diamine

C14H32N2 — CID 141499810

IUPAC1-N,1-N'-diethyldecane-1,1-diamine
SMILESCCCCCCCCCC(NCC)NCC
InChIInChI=1S/C14H32N2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h14-16H,4-13H2,1-3H3
InChIKeySGKUJBVUDTWQNS-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.67
Rot. Bonds12

About 1-N,1-N'-diethyldecane-1,1-diamine

1-N,1-N'-diethyldecane-1,1-diamine (PubChem CID 141499810) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,1-N'-diethyldecane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-diethyldecane-1,1-diamine
PubChem CID141499810
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,1-N'-diethyldecane-1,1-diamine
SMILESCCCCCCCCCC(NCC)NCC
InChIInChI=1S/C14H32N2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h14-16H,4-13H2,1-3H3
InChIKeySGKUJBVUDTWQNS-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-ethyl-1-N-methyloctane-1,1-diamine
CID 141456567
N-ethyltetradecan-7-amine
CID 87847195
1-N'-benzyl-1-N-ethyloctane-1,1-diamine
CID 170086019
4-N-[4-(butylamino)butyl]-1-N,1-N'-diethylbutane-1,1,4-triamine
CID 87772787
1-N,1-N'-bis[3-(ethylamino)propyl]heptane-1,1-diamine;tetrahydrochloride
CID 173339622
N-ethylhexadecan-4-amine
CID 63413885
N-ethylnonan-3-amine
CID 60996683
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-N,1-N'-bis(3-aminopropyl)octane-1,1-diamine
CID 57162858
1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine
CID 118539190
N-ethyldecan-5-amine
CID 79405026
2-(ethylamino)nonan-1-ol
CID 61050713

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-diethyldecane-1,1-diamine?
The IUPAC name of 1-N,1-N'-diethyldecane-1,1-diamine (CID 141499810) is 1-N,1-N'-diethyldecane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-diethyldecane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-diethyldecane-1,1-diamine is CCCCCCCCCC(NCC)NCC.
What is the InChIKey of 1-N,1-N'-diethyldecane-1,1-diamine?
The InChIKey is SGKUJBVUDTWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-N,1-N'-diethyldecane-1,1-diamine?
1-N,1-N'-diethyldecane-1,1-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.67, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-diethyldecane-1,1-diamine is sourced from PubChem (CID 141499810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).