bis(cyclodecane);cyclodecane-1,1-diamine

C30H62N2 — CID 22325955

IUPACbis(cyclodecane);cyclodecane-1,1-diamine
SMILESC1CCCCCCCCC1.C1CCCCCCCCC1.NC1(N)CCCCCCCCC1
InChIInChI=1S/C10H22N2.2C10H20/c11-10(12)8-6-4-2-1-3-5-7-9-10;2*1-2-4-6-8-10-9-7-5-3-1/h1-9,11-12H2;2*1-10H2
InChIKeyFNJZJPFATKQHSL-UHFFFAOYSA-N
MW450.84 g/mol
LogP9.93
Rot. Bonds

About bis(cyclodecane);cyclodecane-1,1-diamine

bis(cyclodecane);cyclodecane-1,1-diamine (PubChem CID 22325955) has the molecular formula C30H62N2 and a molecular weight of 450.84 g/mol. Its IUPAC name is bis(cyclodecane);cyclodecane-1,1-diamine.

Molecular Properties

Compound Namebis(cyclodecane);cyclodecane-1,1-diamine
PubChem CID22325955
Molecular FormulaC30H62N2
Molecular Weight450.84 g/mol
Exact Mass450.49
IUPAC Namebis(cyclodecane);cyclodecane-1,1-diamine
SMILESC1CCCCCCCCC1.C1CCCCCCCCC1.NC1(N)CCCCCCCCC1
InChIInChI=1S/C10H22N2.2C10H20/c11-10(12)8-6-4-2-1-3-5-7-9-10;2*1-2-4-6-8-10-9-7-5-3-1/h1-9,11-12H2;2*1-10H2
InChIKeyFNJZJPFATKQHSL-UHFFFAOYSA-N
XLogP9.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.84
LogP ≤ 59.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
cyclohexane-1,1-diamine;dichloroplatinum
CID 21280166
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
cyclopropane-1,1-diamine;hydrochloride
CID 141361875
cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 70518609
CID 145159895
CID 145159895
1-iodocyclotridecan-1-amine
CID 134396656
cyclohexane-1,1-diamine;2-methylpentane-2,4-diol
CID 174848693
1-bis(1-aminocyclohexyl)stibanylcyclohexan-1-amine
CID 23462598
carbanide;1-methylcyclohexan-1-amine;vanadium
CID 159436191
1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
(1-aminocyclodecyl)methanol
CID 66910735

Frequently Asked Questions

What is the IUPAC name of bis(cyclodecane);cyclodecane-1,1-diamine?
The IUPAC name of bis(cyclodecane);cyclodecane-1,1-diamine (CID 22325955) is bis(cyclodecane);cyclodecane-1,1-diamine.
What is the SMILES notation for bis(cyclodecane);cyclodecane-1,1-diamine?
The canonical SMILES for bis(cyclodecane);cyclodecane-1,1-diamine is C1CCCCCCCCC1.C1CCCCCCCCC1.NC1(N)CCCCCCCCC1.
What is the InChIKey of bis(cyclodecane);cyclodecane-1,1-diamine?
The InChIKey is FNJZJPFATKQHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2C10H20/c11-10(12)8-6-4-2-1-3-5-7-9-10;2*1-2-4-6-8-10-9-7-5-3-1/h1-9,11-12H2;2*1-10H2.
What are the key properties of bis(cyclodecane);cyclodecane-1,1-diamine?
bis(cyclodecane);cyclodecane-1,1-diamine has a molecular weight of 450.84 g/mol, XLogP of 9.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclodecane);cyclodecane-1,1-diamine is sourced from PubChem (CID 22325955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).