N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine

C16H25NS — CID 114817596

IUPACN-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
SMILESCc1ccc(CNC2CCC3(CCCC3)CC2)s1
InChIInChI=1S/C16H25NS/c1-13-4-5-15(18-13)12-17-14-6-10-16(11-7-14)8-2-3-9-16/h4-5,14,17H,2-3,6-12H2,1H3
InChIKeyYWPCQTKCYZLHNB-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.65
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine

N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine (PubChem CID 114817596) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
PubChem CID114817596
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
SMILESCc1ccc(CNC2CCC3(CCCC3)CC2)s1
InChIInChI=1S/C16H25NS/c1-13-4-5-15(18-13)12-17-14-6-10-16(11-7-14)8-2-3-9-16/h4-5,14,17H,2-3,6-12H2,1H3
InChIKeyYWPCQTKCYZLHNB-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 65080142
N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696592
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471235
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
1-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 61365192
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine (CID 114817596) is N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine is Cc1ccc(CNC2CCC3(CCCC3)CC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine?
The InChIKey is YWPCQTKCYZLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-13-4-5-15(18-13)12-17-14-6-10-16(11-7-14)8-2-3-9-16/h4-5,14,17H,2-3,6-12H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine?
N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine has a molecular weight of 263.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).