carbanide;cyclododecanamine;titanium(2+)

C14H31NTi — CID 174995468

IUPACcarbanide;cyclododecanamine;titanium(2+)
SMILESNC1CCCCCCCCCCC1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C12H25N.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;;;/h12H,1-11,13H2;2*1H3;/q;2*-1;+2
InChIKeyJECLZDZPVSYAQB-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.52
Rot. Bonds

About carbanide;cyclododecanamine;titanium(2+)

carbanide;cyclododecanamine;titanium(2+) (PubChem CID 174995468) has the molecular formula C14H31NTi and a molecular weight of 261.28 g/mol. Its IUPAC name is carbanide;cyclododecanamine;titanium(2+).

Molecular Properties

Compound Namecarbanide;cyclododecanamine;titanium(2+)
PubChem CID174995468
Molecular FormulaC14H31NTi
Molecular Weight261.28 g/mol
Exact Mass261.19
IUPAC Namecarbanide;cyclododecanamine;titanium(2+)
SMILESNC1CCCCCCCCCCC1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C12H25N.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;;;/h12H,1-11,13H2;2*1H3;/q;2*-1;+2
InChIKeyJECLZDZPVSYAQB-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 175698442
CID 175698442
azane;cyclopentanamine
CID 69254255
cyclopentanamine;platinum(2+)
CID 21144800
azane;cyclohexanamine;dichloroplatinum
CID 11603349
5-methylcyclododecan-1-amine
CID 138488786
cyclohexanamine;ethanol
CID 159108869
cyclohexanamine;cyclohexylmethanamine
CID 174974863
cycloheptanamine;ethanol
CID 158239152
(1,2,3-13C3)cyclopropanamine
CID 76972988

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclododecanamine;titanium(2+)?
The IUPAC name of carbanide;cyclododecanamine;titanium(2+) (CID 174995468) is carbanide;cyclododecanamine;titanium(2+).
What is the SMILES notation for carbanide;cyclododecanamine;titanium(2+)?
The canonical SMILES for carbanide;cyclododecanamine;titanium(2+) is NC1CCCCCCCCCCC1.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of carbanide;cyclododecanamine;titanium(2+)?
The InChIKey is JECLZDZPVSYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.2CH3.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;;;/h12H,1-11,13H2;2*1H3;/q;2*-1;+2.
What are the key properties of carbanide;cyclododecanamine;titanium(2+)?
carbanide;cyclododecanamine;titanium(2+) has a molecular weight of 261.28 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclododecanamine;titanium(2+) is sourced from PubChem (CID 174995468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).