CID 138976296

C12H16N — CID 138976296

IUPAC—
SMILESCC(C)N1[C]=C2C=CC=C2CCC1
InChIInChI=1S/C12H16N/c1-10(2)13-8-4-7-11-5-3-6-12(11)9-13/h3,5-6,10H,4,7-8H2,1-2H3
InChIKeyHYGGEOAQVYVDLM-UHFFFAOYSA-N
MW174.27 g/mol
LogP2.67
Rot. Bonds1

About CID 138976296

CID 138976296 (PubChem CID 138976296) has the molecular formula C12H16N and a molecular weight of 174.27 g/mol.

Molecular Properties

Compound NameCID 138976296
PubChem CID138976296
Molecular FormulaC12H16N
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Name—
SMILESCC(C)N1[C]=C2C=CC=C2CCC1
InChIInChI=1S/C12H16N/c1-10(2)13-8-4-7-11-5-3-6-12(11)9-13/h3,5-6,10H,4,7-8H2,1-2H3
InChIKeyHYGGEOAQVYVDLM-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine
CID 142298286
N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine
CID 142869610
4-Butyl-1,2-dimethyl-2,5-dihydropyrrole
CID 15505992
3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine
CID 142929036
3-Cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium
CID 146680181
2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine
CID 10352268
N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
CID 15514429
N-(2-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 12178792
2-Cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium
CID 12770375
N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 13212526
1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 23295314

Frequently Asked Questions

What is the IUPAC name of CID 138976296?
The IUPAC name of CID 138976296 (CID 138976296) is not available.
What is the SMILES notation for CID 138976296?
The canonical SMILES for CID 138976296 is CC(C)N1[C]=C2C=CC=C2CCC1.
What is the InChIKey of CID 138976296?
The InChIKey is HYGGEOAQVYVDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N/c1-10(2)13-8-4-7-11-5-3-6-12(11)9-13/h3,5-6,10H,4,7-8H2,1-2H3.
What are the key properties of CID 138976296?
CID 138976296 has a molecular weight of 174.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138976296 is sourced from PubChem (CID 138976296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).