CID 59877545

C12H17N — CID 59877545

IUPAC—
SMILES[CH]CC(CCc1ccccc1)NC
InChIInChI=1S/C12H17N/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h1,4-8,12-13H,3,9-10H2,2H3
InChIKeyYOUIEAJYEHDGGT-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.31
Rot. Bonds5

About CID 59877545

CID 59877545 (PubChem CID 59877545) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol.

Molecular Properties

Compound NameCID 59877545
PubChem CID59877545
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name—
SMILES[CH]CC(CCc1ccccc1)NC
InChIInChI=1S/C12H17N/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h1,4-8,12-13H,3,9-10H2,2H3
InChIKeyYOUIEAJYEHDGGT-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
4-(methylamino)-6-phenylhexan-2-one
CID 10420495
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide
CID 145164084
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816

Frequently Asked Questions

What is the IUPAC name of CID 59877545?
The IUPAC name of CID 59877545 (CID 59877545) is not available.
What is the SMILES notation for CID 59877545?
The canonical SMILES for CID 59877545 is [CH]CC(CCc1ccccc1)NC.
What is the InChIKey of CID 59877545?
The InChIKey is YOUIEAJYEHDGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h1,4-8,12-13H,3,9-10H2,2H3.
What are the key properties of CID 59877545?
CID 59877545 has a molecular weight of 175.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59877545 is sourced from PubChem (CID 59877545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).