decane-1,10-diamine

C10H24N2 — CID 1317

IUPACdecane-1,10-diamine
SMILESNCCCCCCCCCCN
InChIInChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
InChIKeyYQLZOAVZWJBZSY-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.02
Rot. Bonds9

About decane-1,10-diamine

decane-1,10-diamine (PubChem CID 1317) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is decane-1,10-diamine.

Molecular Properties

Compound Namedecane-1,10-diamine
PubChem CID1317
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Namedecane-1,10-diamine
SMILESNCCCCCCCCCCN
InChIInChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
InChIKeyYQLZOAVZWJBZSY-UHFFFAOYSA-N
XLogP2.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.02
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

Hexamethylenediamine
CID 16402
Octylamine
CID 8143
1,8-Octanediamine
CID 24250
Octadecylamine
CID 15793
Hexadecylamine
CID 8926
Dodecylammonium chloride
CID 458426
Decylamine
CID 8916
Tetradecylamine
CID 16217
Dodecylamine
CID 13583
1-Heptanamine
CID 8127
Nonylamine
CID 16215
1,12-Dodecanediamine
CID 17727

Frequently Asked Questions

What is the IUPAC name of decane-1,10-diamine?
The IUPAC name of decane-1,10-diamine (CID 1317) is decane-1,10-diamine.
What is the SMILES notation for decane-1,10-diamine?
The canonical SMILES for decane-1,10-diamine is NCCCCCCCCCCN.
What is the InChIKey of decane-1,10-diamine?
The InChIKey is YQLZOAVZWJBZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2.
What are the key properties of decane-1,10-diamine?
decane-1,10-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,10-diamine is sourced from PubChem (CID 1317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).