N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine

C12H25NOS — CID 115685658

IUPACN-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCNCC1CCCCCC1
InChIInChI=1S/C12H25NOS/c1-15(14)10-6-9-13-11-12-7-4-2-3-5-8-12/h12-13H,2-11H2,1H3
InChIKeyPMOHMFVUQCWKHU-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.32
Rot. Bonds6

About N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine

N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine (PubChem CID 115685658) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine
PubChem CID115685658
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCNCC1CCCCCC1
InChIInChI=1S/C12H25NOS/c1-15(14)10-6-9-13-11-12-7-4-2-3-5-8-12/h12-13H,2-11H2,1H3
InChIKeyPMOHMFVUQCWKHU-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-methylsulfinylethanamine
CID 115632660
N-(cyclopentylmethyl)-2-ethylsulfinylethanamine
CID 115907341
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
5-(cycloheptylmethylamino)pentanamide
CID 106233402
4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115721085
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine?
The IUPAC name of N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine (CID 115685658) is N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine?
The canonical SMILES for N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine is CS(=O)CCCNCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine?
The InChIKey is PMOHMFVUQCWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-15(14)10-6-9-13-11-12-7-4-2-3-5-8-12/h12-13H,2-11H2,1H3.
What are the key properties of N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine?
N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115685658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).