N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine

C15H27NS — CID 115886378

IUPACN-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCSCCCCNC1CC2CC1C1CCCC21
InChIInChI=1S/C15H27NS/c1-17-8-3-2-7-16-15-10-11-9-14(15)13-6-4-5-12(11)13/h11-16H,2-10H2,1H3
InChIKeyKOBSNMNORNEIDQ-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.54
Rot. Bonds6

About N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 115886378) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID115886378
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCSCCCCNC1CC2CC1C1CCCC21
InChIInChI=1S/C15H27NS/c1-17-8-3-2-7-16-15-10-11-9-14(15)13-6-4-5-12(11)13/h11-16H,2-10H2,1H3
InChIKeyKOBSNMNORNEIDQ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 124708804
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
(1S,2R,6S,7R,8S)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568433
(1S,2R,6S,7R,8S)-N-[3-[(R)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568432
(1S,2R,6S,7R,8R)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568431
N-(3-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886299
(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 99851077
2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63983395
3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 115886378) is N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine is CSCCCCNC1CC2CC1C1CCCC21.
What is the InChIKey of N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is KOBSNMNORNEIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-17-8-3-2-7-16-15-10-11-9-14(15)13-6-4-5-12(11)13/h11-16H,2-10H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 253.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 115886378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).