octadecan-1-amine;titanium

C18H39NTi — CID 174493472

IUPACoctadecan-1-amine;titanium
SMILESCCCCCCCCCCCCCCCCCCN.[Ti]
InChIInChI=1S/C18H39N.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;
InChIKeyKTLDFOYPCGBSSN-UHFFFAOYSA-N
MW317.38 g/mol
LogP6.20
Rot. Bonds16

About octadecan-1-amine;titanium

octadecan-1-amine;titanium (PubChem CID 174493472) has the molecular formula C18H39NTi and a molecular weight of 317.38 g/mol. Its IUPAC name is octadecan-1-amine;titanium.

Molecular Properties

Compound Nameoctadecan-1-amine;titanium
PubChem CID174493472
Molecular FormulaC18H39NTi
Molecular Weight317.38 g/mol
Exact Mass317.26
IUPAC Nameoctadecan-1-amine;titanium
SMILESCCCCCCCCCCCCCCCCCCN.[Ti]
InChIInChI=1S/C18H39N.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;
InChIKeyKTLDFOYPCGBSSN-UHFFFAOYSA-N
XLogP6.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.38
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623
octadecan-1-amine;hydrate
CID 158026408

Frequently Asked Questions

What is the IUPAC name of octadecan-1-amine;titanium?
The IUPAC name of octadecan-1-amine;titanium (CID 174493472) is octadecan-1-amine;titanium.
What is the SMILES notation for octadecan-1-amine;titanium?
The canonical SMILES for octadecan-1-amine;titanium is CCCCCCCCCCCCCCCCCCN.[Ti].
What is the InChIKey of octadecan-1-amine;titanium?
The InChIKey is KTLDFOYPCGBSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;.
What are the key properties of octadecan-1-amine;titanium?
octadecan-1-amine;titanium has a molecular weight of 317.38 g/mol, XLogP of 6.20, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-amine;titanium is sourced from PubChem (CID 174493472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).