CID 177350414

C26H37N — CID 177350414

IUPAC—
SMILESC1CCC2C(CC1)C21CC12CCCC2.c1ccc2c(c1)NCC21CCCC1
InChIInChI=1S/C14H22.C12H15N/c1-2-6-11-12(7-3-1)14(11)10-13(14)8-4-5-9-13;1-2-6-11-10(5-1)12(9-13-11)7-3-4-8-12/h11-12H,1-10H2;1-2,5-6,13H,3-4,7-9H2
InChIKeyOTSZDAYDZOPUMT-UHFFFAOYSA-N
MW363.59 g/mol
LogP7.07
Rot. Bonds

About CID 177350414

CID 177350414 (PubChem CID 177350414) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol.

Molecular Properties

Compound NameCID 177350414
PubChem CID177350414
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name—
SMILESC1CCC2C(CC1)C21CC12CCCC2.c1ccc2c(c1)NCC21CCCC1
InChIInChI=1S/C14H22.C12H15N/c1-2-6-11-12(7-3-1)14(11)10-13(14)8-4-5-9-13;1-2-6-11-10(5-1)12(9-13-11)7-3-4-8-12/h11-12H,1-10H2;1-2,5-6,13H,3-4,7-9H2
InChIKeyOTSZDAYDZOPUMT-UHFFFAOYSA-N
XLogP7.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3-Dimethylindoline
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3,3-Diethyl-2,3-dihydro-1H-indole
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1',2'-Dihydrospiro[cyclopentane-1,3'-indole]
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1',2'-Dihydrospiro[cyclopropane-1,3'-indole] hydrochloride
CID 73424757
1',2'-Dihydrospiro[cyclohexane-1,3'-indole]
CID 13418476
2,3-Dimethyl-3-propan-2-yl-1,2-dihydroindole
CID 589709
3-(1-Methyl-1-phenylpropyl)indoline
CID 6612029
(2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]
CID 102050399
(2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]
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3-Vinyl indoline
CID 12955131

Frequently Asked Questions

What is the IUPAC name of CID 177350414?
The IUPAC name of CID 177350414 (CID 177350414) is not available.
What is the SMILES notation for CID 177350414?
The canonical SMILES for CID 177350414 is C1CCC2C(CC1)C21CC12CCCC2.c1ccc2c(c1)NCC21CCCC1.
What is the InChIKey of CID 177350414?
The InChIKey is OTSZDAYDZOPUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C12H15N/c1-2-6-11-12(7-3-1)14(11)10-13(14)8-4-5-9-13;1-2-6-11-10(5-1)12(9-13-11)7-3-4-8-12/h11-12H,1-10H2;1-2,5-6,13H,3-4,7-9H2.
What are the key properties of CID 177350414?
CID 177350414 has a molecular weight of 363.59 g/mol, XLogP of 7.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177350414 is sourced from PubChem (CID 177350414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).