6,7-dipentyldodecane-6,7-diamine

C22H48N2 — CID 23346628

IUPAC6,7-dipentyldodecane-6,7-diamine
SMILESCCCCCC(N)(CCCCC)C(N)(CCCCC)CCCCC
InChIInChI=1S/C22H48N2/c1-5-9-13-17-21(23,18-14-10-6-2)22(24,19-15-11-7-3)20-16-12-8-4/h5-20,23-24H2,1-4H3
InChIKeyYEGJAJZNBJJCFJ-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.70
Rot. Bonds17

About 6,7-dipentyldodecane-6,7-diamine

6,7-dipentyldodecane-6,7-diamine (PubChem CID 23346628) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 6,7-dipentyldodecane-6,7-diamine.

Molecular Properties

Compound Name6,7-dipentyldodecane-6,7-diamine
PubChem CID23346628
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC Name6,7-dipentyldodecane-6,7-diamine
SMILESCCCCCC(N)(CCCCC)C(N)(CCCCC)CCCCC
InChIInChI=1S/C22H48N2/c1-5-9-13-17-21(23,18-14-10-6-2)22(24,19-15-11-7-3)20-16-12-8-4/h5-20,23-24H2,1-4H3
InChIKeyYEGJAJZNBJJCFJ-UHFFFAOYSA-N
XLogP6.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.70
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

10-tert-butylnonadecan-10-amine
CID 20837586
tetracosane-6,6-diamine
CID 154005419
11-decylhenicosan-11-amine
CID 19847882
nonane-1,1,1-triamine
CID 18954154
3-ethyloctan-3-amine
CID 19350108
12-undecyltricosan-12-amine;hydrate
CID 173445536
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
6-ethylundecan-6-amine
CID 173250227
5-butylhexadecan-5-amine
CID 22244897
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489

Frequently Asked Questions

What is the IUPAC name of 6,7-dipentyldodecane-6,7-diamine?
The IUPAC name of 6,7-dipentyldodecane-6,7-diamine (CID 23346628) is 6,7-dipentyldodecane-6,7-diamine.
What is the SMILES notation for 6,7-dipentyldodecane-6,7-diamine?
The canonical SMILES for 6,7-dipentyldodecane-6,7-diamine is CCCCCC(N)(CCCCC)C(N)(CCCCC)CCCCC.
What is the InChIKey of 6,7-dipentyldodecane-6,7-diamine?
The InChIKey is YEGJAJZNBJJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-5-9-13-17-21(23,18-14-10-6-2)22(24,19-15-11-7-3)20-16-12-8-4/h5-20,23-24H2,1-4H3.
What are the key properties of 6,7-dipentyldodecane-6,7-diamine?
6,7-dipentyldodecane-6,7-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.70, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dipentyldodecane-6,7-diamine is sourced from PubChem (CID 23346628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).