tetradecane-3,11-diamine

C14H32N2 — CID 170279817

IUPACtetradecane-3,11-diamine
SMILESCCCC(N)CCCCCCCC(N)CC
InChIInChI=1S/C14H32N2/c1-3-10-14(16)12-9-7-5-6-8-11-13(15)4-2/h13-14H,3-12,15-16H2,1-2H3
InChIKeyDSUNCPPCEURXCZ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.58
Rot. Bonds11

About tetradecane-3,11-diamine

tetradecane-3,11-diamine (PubChem CID 170279817) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is tetradecane-3,11-diamine.

Molecular Properties

Compound Nametetradecane-3,11-diamine
PubChem CID170279817
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nametetradecane-3,11-diamine
SMILESCCCC(N)CCCCCCCC(N)CC
InChIInChI=1S/C14H32N2/c1-3-10-14(16)12-9-7-5-6-8-11-13(15)4-2/h13-14H,3-12,15-16H2,1-2H3
InChIKeyDSUNCPPCEURXCZ-UHFFFAOYSA-N
XLogP3.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.58
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

(4R)-tridecan-4-amine
CID 150614684
tridecan-3-amine
CID 19435959
ethane;hexan-3-amine
CID 143616305
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecan-3-amine;hydrobromide
CID 173393490
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
ethane;hexan-3-amine;methane
CID 145152462
pentacosan-7-amine
CID 88938409
icosane-5,10,16-triamine
CID 88870264
nonapentacontan-30-amine
CID 118952570

Frequently Asked Questions

What is the IUPAC name of tetradecane-3,11-diamine?
The IUPAC name of tetradecane-3,11-diamine (CID 170279817) is tetradecane-3,11-diamine.
What is the SMILES notation for tetradecane-3,11-diamine?
The canonical SMILES for tetradecane-3,11-diamine is CCCC(N)CCCCCCCC(N)CC.
What is the InChIKey of tetradecane-3,11-diamine?
The InChIKey is DSUNCPPCEURXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-3-10-14(16)12-9-7-5-6-8-11-13(15)4-2/h13-14H,3-12,15-16H2,1-2H3.
What are the key properties of tetradecane-3,11-diamine?
tetradecane-3,11-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane-3,11-diamine is sourced from PubChem (CID 170279817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).