N,N-diethylpropan-1-amine;methanol;titanium

C10H28NO3Ti- — CID 19048455

IUPACN,N-diethylpropan-1-amine;methanol;titanium
SMILESCO.CO.CO.[CH2-]CCN(CC)CC.[Ti]
InChIInChI=1S/C7H16N.3CH4O.Ti/c1-4-7-8(5-2)6-3;3*1-2;/h1,4-7H2,2-3H3;3*2H,1H3;/q-1;;;;
InChIKeyYGWDAWZWPOJGMJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.38
Rot. Bonds4

About N,N-diethylpropan-1-amine;methanol;titanium

N,N-diethylpropan-1-amine;methanol;titanium (PubChem CID 19048455) has the molecular formula C10H28NO3Ti- and a molecular weight of 258.20 g/mol. Its IUPAC name is N,N-diethylpropan-1-amine;methanol;titanium.

Molecular Properties

Compound NameN,N-diethylpropan-1-amine;methanol;titanium
PubChem CID19048455
Molecular FormulaC10H28NO3Ti-
Molecular Weight258.20 g/mol
Exact Mass258.16
IUPAC NameN,N-diethylpropan-1-amine;methanol;titanium
SMILESCO.CO.CO.[CH2-]CCN(CC)CC.[Ti]
InChIInChI=1S/C7H16N.3CH4O.Ti/c1-4-7-8(5-2)6-3;3*1-2;/h1,4-7H2,2-3H3;3*2H,1H3;/q-1;;;;
InChIKeyYGWDAWZWPOJGMJ-UHFFFAOYSA-N
XLogP0.38
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropan-1-amine;methanol;titanium?
The IUPAC name of N,N-diethylpropan-1-amine;methanol;titanium (CID 19048455) is N,N-diethylpropan-1-amine;methanol;titanium.
What is the SMILES notation for N,N-diethylpropan-1-amine;methanol;titanium?
The canonical SMILES for N,N-diethylpropan-1-amine;methanol;titanium is CO.CO.CO.[CH2-]CCN(CC)CC.[Ti].
What is the InChIKey of N,N-diethylpropan-1-amine;methanol;titanium?
The InChIKey is YGWDAWZWPOJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.3CH4O.Ti/c1-4-7-8(5-2)6-3;3*1-2;/h1,4-7H2,2-3H3;3*2H,1H3;/q-1;;;;.
What are the key properties of N,N-diethylpropan-1-amine;methanol;titanium?
N,N-diethylpropan-1-amine;methanol;titanium has a molecular weight of 258.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropan-1-amine;methanol;titanium is sourced from PubChem (CID 19048455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).