CID 142057029

C14H22NO — CID 142057029

IUPAC—
SMILESCC1=C[CH]C(OCCN2CCCCC2)C=C1
InChIInChI=1S/C14H22NO/c1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15/h5-8,14H,2-4,9-12H2,1H3
InChIKeyQYVJUQYNJYCIOV-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.58
Rot. Bonds4

About CID 142057029

CID 142057029 (PubChem CID 142057029) has the molecular formula C14H22NO and a molecular weight of 220.34 g/mol.

Molecular Properties

Compound NameCID 142057029
PubChem CID142057029
Molecular FormulaC14H22NO
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name—
SMILESCC1=C[CH]C(OCCN2CCCCC2)C=C1
InChIInChI=1S/C14H22NO/c1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15/h5-8,14H,2-4,9-12H2,1H3
InChIKeyQYVJUQYNJYCIOV-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
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4-[2-[4-(Difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
CID 163636515
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
2-Ethyl-4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 58787092
1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine
CID 59434644
4,6-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 59613732
4,7-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 60032173
4-Methyl-2-oct-2-en-2-ylmorpholine
CID 70610956
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
4-Propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 89973809
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864

Frequently Asked Questions

What is the IUPAC name of CID 142057029?
The IUPAC name of CID 142057029 (CID 142057029) is not available.
What is the SMILES notation for CID 142057029?
The canonical SMILES for CID 142057029 is CC1=C[CH]C(OCCN2CCCCC2)C=C1.
What is the InChIKey of CID 142057029?
The InChIKey is QYVJUQYNJYCIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO/c1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15/h5-8,14H,2-4,9-12H2,1H3.
What are the key properties of CID 142057029?
CID 142057029 has a molecular weight of 220.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142057029 is sourced from PubChem (CID 142057029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).