decane-1,2-diamine

C10H24N2 — CID 517618

IUPACdecane-1,2-diamine
SMILESCCCCCCCCC(N)CN
InChIInChI=1S/C10H24N2/c1-2-3-4-5-6-7-8-10(12)9-11/h10H,2-9,11-12H2,1H3
InChIKeyZTEKCBPGTUUQOB-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.02
Rot. Bonds8

About decane-1,2-diamine

decane-1,2-diamine (PubChem CID 517618) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is decane-1,2-diamine.

Molecular Properties

Compound Namedecane-1,2-diamine
PubChem CID517618
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Namedecane-1,2-diamine
SMILESCCCCCCCCC(N)CN
InChIInChI=1S/C10H24N2/c1-2-3-4-5-6-7-8-10(12)9-11/h10H,2-9,11-12H2,1H3
InChIKeyZTEKCBPGTUUQOB-UHFFFAOYSA-N
XLogP2.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

(2R)-decane-1,2-diamine
CID 102595281
dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
5-octoxypentane-1,2-diamine
CID 20527044
sodium;heptane-1,2-diamine;hydride;propanoic acid
CID 175479075
1,1-diaminourea;dodecane;undecane-1,2-diamine
CID 174889744
undecane-1,6-diamine
CID 18419788
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011

Frequently Asked Questions

What is the IUPAC name of decane-1,2-diamine?
The IUPAC name of decane-1,2-diamine (CID 517618) is decane-1,2-diamine.
What is the SMILES notation for decane-1,2-diamine?
The canonical SMILES for decane-1,2-diamine is CCCCCCCCC(N)CN.
What is the InChIKey of decane-1,2-diamine?
The InChIKey is ZTEKCBPGTUUQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-2-3-4-5-6-7-8-10(12)9-11/h10H,2-9,11-12H2,1H3.
What are the key properties of decane-1,2-diamine?
decane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,2-diamine is sourced from PubChem (CID 517618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).