N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine

C24H35NOS — CID 27102

IUPACN-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine
SMILESCCC(CCSCC(Cc1cccc2ccccc12)CC1CCCO1)NC
InChIInChI=1S/C24H35NOS/c1-3-22(25-2)13-15-27-18-19(17-23-11-7-14-26-23)16-21-10-6-9-20-8-4-5-12-24(20)21/h4-6,8-10,12,19,22-23,25H,3,7,11,13-18H2,1-2H3
InChIKeyQTHUAXPKMRVIGC-UHFFFAOYSA-N
MW385.62 g/mol
LogP5.69
Rot. Bonds11

About N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine

N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine (PubChem CID 27102) has the molecular formula C24H35NOS and a molecular weight of 385.62 g/mol. Its IUPAC name is N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine
PubChem CID27102
Molecular FormulaC24H35NOS
Molecular Weight385.62 g/mol
Exact Mass385.24
IUPAC NameN-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine
SMILESCCC(CCSCC(Cc1cccc2ccccc12)CC1CCCO1)NC
InChIInChI=1S/C24H35NOS/c1-3-22(25-2)13-15-27-18-19(17-23-11-7-14-26-23)16-21-10-6-9-20-8-4-5-12-24(20)21/h4-6,8-10,12,19,22-23,25H,3,7,11,13-18H2,1-2H3
InChIKeyQTHUAXPKMRVIGC-UHFFFAOYSA-N
XLogP5.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Furanpropanethiol, tetrahydro-S-(2-diethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
CID 27101
2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
CID 27140
2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthyl)-, oxalate
CID 27142
2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-S-(2-pyrrolidinoethyl)-
CID 39473
2-Furanpropanethiol, tetrahydro-S-(2-diethylaminoethyl)-beta-(1-naphthyl)-, oxalate
CID 52649
4-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
CID 27106
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27143
2-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]piperidine
CID 27169
N,N-diethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 52650
(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
CID 134420039
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
CID 134420055

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine?
The IUPAC name of N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine (CID 27102) is N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine.
What is the SMILES notation for N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine?
The canonical SMILES for N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine is CCC(CCSCC(Cc1cccc2ccccc12)CC1CCCO1)NC.
What is the InChIKey of N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine?
The InChIKey is QTHUAXPKMRVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NOS/c1-3-22(25-2)13-15-27-18-19(17-23-11-7-14-26-23)16-21-10-6-9-20-8-4-5-12-24(20)21/h4-6,8-10,12,19,22-23,25H,3,7,11,13-18H2,1-2H3.
What are the key properties of N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine?
N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine has a molecular weight of 385.62 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine is sourced from PubChem (CID 27102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).