CID 138976934

C14H22N — CID 138976934

IUPAC—
SMILESC[C](C)CCC(C)(C)Nc1ccccc1
InChIInChI=1S/C14H22N/c1-12(2)10-11-14(3,4)15-13-8-6-5-7-9-13/h5-9,15H,10-11H2,1-4H3
InChIKeyGNGZVSPOVJEGAU-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.27
Rot. Bonds5

About CID 138976934

CID 138976934 (PubChem CID 138976934) has the molecular formula C14H22N and a molecular weight of 204.34 g/mol.

Molecular Properties

Compound NameCID 138976934
PubChem CID138976934
Molecular FormulaC14H22N
Molecular Weight204.34 g/mol
Exact Mass204.18
IUPAC Name—
SMILESC[C](C)CCC(C)(C)Nc1ccccc1
InChIInChI=1S/C14H22N/c1-12(2)10-11-14(3,4)15-13-8-6-5-7-9-13/h5-9,15H,10-11H2,1-4H3
InChIKeyGNGZVSPOVJEGAU-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methyltridecan-2-yl)aniline
CID 67784312
4-anilino-4-methylhexanoic acid
CID 70438970
2-anilino-2-methylpentan-1-ol
CID 61046243
2-anilino-2-methylpentanoic acid
CID 60992039
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
3-anilino-3-methyl-4-phenylbutan-2-one
CID 131859757
2-anilino-2-hydroxypropanoic acid
CID 159388558
4-N-(5-methylhexan-2-yl)-1-N-phenylbenzene-1,4-diamine;4-N-(2-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 22119349
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
2-anilino-2-ethylbutan-1-ol
CID 61046791
2,3-dimethyl-3-N-phenylbutane-2,3-diamine
CID 141069242
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212

Frequently Asked Questions

What is the IUPAC name of CID 138976934?
The IUPAC name of CID 138976934 (CID 138976934) is not available.
What is the SMILES notation for CID 138976934?
The canonical SMILES for CID 138976934 is C[C](C)CCC(C)(C)Nc1ccccc1.
What is the InChIKey of CID 138976934?
The InChIKey is GNGZVSPOVJEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N/c1-12(2)10-11-14(3,4)15-13-8-6-5-7-9-13/h5-9,15H,10-11H2,1-4H3.
What are the key properties of CID 138976934?
CID 138976934 has a molecular weight of 204.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138976934 is sourced from PubChem (CID 138976934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).