tetradecane-1,2-diamine

C14H32N2 — CID 15673760

IUPACtetradecane-1,2-diamine
SMILESCCCCCCCCCCCCC(N)CN
InChIInChI=1S/C14H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14H,2-13,15-16H2,1H3
InChIKeyBFULMBAYDYVSRO-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.58
Rot. Bonds12

About tetradecane-1,2-diamine

tetradecane-1,2-diamine (PubChem CID 15673760) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is tetradecane-1,2-diamine.

Molecular Properties

Compound Nametetradecane-1,2-diamine
PubChem CID15673760
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nametetradecane-1,2-diamine
SMILESCCCCCCCCCCCCC(N)CN
InChIInChI=1S/C14H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14H,2-13,15-16H2,1H3
InChIKeyBFULMBAYDYVSRO-UHFFFAOYSA-N
XLogP3.58
TPSA52.04 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 ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of tetradecane-1,2-diamine?
The IUPAC name of tetradecane-1,2-diamine (CID 15673760) is tetradecane-1,2-diamine.
What is the SMILES notation for tetradecane-1,2-diamine?
The canonical SMILES for tetradecane-1,2-diamine is CCCCCCCCCCCCC(N)CN.
What is the InChIKey of tetradecane-1,2-diamine?
The InChIKey is BFULMBAYDYVSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14H,2-13,15-16H2,1H3.
What are the key properties of tetradecane-1,2-diamine?
tetradecane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.58, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane-1,2-diamine is sourced from PubChem (CID 15673760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).