CID 177443769

C14H17N — CID 177443769

IUPAC—
SMILESC=CC(c1ccccc1)C1[C]N(C)CC1
InChIInChI=1S/C14H17N/c1-3-14(12-7-5-4-6-8-12)13-9-10-15(2)11-13/h3-8,13-14H,1,9-10H2,2H3
InChIKeyHDLSSFYSNZRRBH-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.95
Rot. Bonds3

About CID 177443769

CID 177443769 (PubChem CID 177443769) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol.

Molecular Properties

Compound NameCID 177443769
PubChem CID177443769
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name—
SMILESC=CC(c1ccccc1)C1[C]N(C)CC1
InChIInChI=1S/C14H17N/c1-3-14(12-7-5-4-6-8-12)13-9-10-15(2)11-13/h3-8,13-14H,1,9-10H2,2H3
InChIKeyHDLSSFYSNZRRBH-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177443769?
The IUPAC name of CID 177443769 (CID 177443769) is not available.
What is the SMILES notation for CID 177443769?
The canonical SMILES for CID 177443769 is C=CC(c1ccccc1)C1[C]N(C)CC1.
What is the InChIKey of CID 177443769?
The InChIKey is HDLSSFYSNZRRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-14(12-7-5-4-6-8-12)13-9-10-15(2)11-13/h3-8,13-14H,1,9-10H2,2H3.
What are the key properties of CID 177443769?
CID 177443769 has a molecular weight of 199.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177443769 is sourced from PubChem (CID 177443769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).