4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine

C18H29NS — CID 115905762

IUPAC4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)NCC1CCSCC1
InChIInChI=1S/C18H29NS/c1-15(19-14-16-9-11-20-12-10-16)13-18(2,3)17-7-5-4-6-8-17/h4-8,15-16,19H,9-14H2,1-3H3
InChIKeyUIOCOBKGYAWXSD-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.48
Rot. Bonds6

About 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine

4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine (PubChem CID 115905762) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine
PubChem CID115905762
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)NCC1CCSCC1
InChIInChI=1S/C18H29NS/c1-15(19-14-16-9-11-20-12-10-16)13-18(2,3)17-7-5-4-6-8-17/h4-8,15-16,19H,9-14H2,1-3H3
InChIKeyUIOCOBKGYAWXSD-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-(thian-4-ylmethyl)pentan-2-amine
CID 115719916
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine
CID 107417617
N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 62975730
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine (CID 115905762) is 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine is CC(CC(C)(C)c1ccccc1)NCC1CCSCC1.
What is the InChIKey of 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine?
The InChIKey is UIOCOBKGYAWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-15(19-14-16-9-11-20-12-10-16)13-18(2,3)17-7-5-4-6-8-17/h4-8,15-16,19H,9-14H2,1-3H3.
What are the key properties of 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine?
4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine has a molecular weight of 291.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 115905762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).