decane-1,9-diamine

C10H24N2 — CID 23448369

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

About decane-1,9-diamine

decane-1,9-diamine (PubChem CID 23448369) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is decane-1,9-diamine.

Molecular Properties

Compound Namedecane-1,9-diamine
PubChem CID23448369
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Namedecane-1,9-diamine
SMILESCC(N)CCCCCCCCN
InChIInChI=1S/C10H24N2/c1-10(12)8-6-4-2-3-5-7-9-11/h10H,2-9,11-12H2,1H3
InChIKeyDHDZMONMPFKUJO-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

(8S)-nonane-1,8-diamine
CID 87205838
undecane-1,10-diamine
CID 140782210
dodecan-1-amine;dodecan-2-amine
CID 88815564
docosane-2,21-diamine
CID 150079956
36-methylheptatriacontan-1-amine
CID 134324173
butylboronic acid;(6S)-heptane-1,6-diamine
CID 145219482
2-methyldecane-1,1,10-triamine
CID 175230718
pentacosane-1,13,25-triamine
CID 174653759
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909

Frequently Asked Questions

What is the IUPAC name of decane-1,9-diamine?
The IUPAC name of decane-1,9-diamine (CID 23448369) is decane-1,9-diamine.
What is the SMILES notation for decane-1,9-diamine?
The canonical SMILES for decane-1,9-diamine is CC(N)CCCCCCCCN.
What is the InChIKey of decane-1,9-diamine?
The InChIKey is DHDZMONMPFKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-10(12)8-6-4-2-3-5-7-9-11/h10H,2-9,11-12H2,1H3.
What are the key properties of decane-1,9-diamine?
decane-1,9-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-1,9-diamine is sourced from PubChem (CID 23448369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).