1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

C15H29NS — CID 114269796

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCC2(CC(C)C)CCCC2)CC1
InChIInChI=1S/C15H29NS/c1-13(2)10-14(6-4-5-7-14)11-16-12-15(17-3)8-9-15/h13,16H,4-12H2,1-3H3
InChIKeyMRZLTHQDSOBRDZ-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.08
Rot. Bonds7

About 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (PubChem CID 114269796) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
PubChem CID114269796
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCC2(CC(C)C)CCCC2)CC1
InChIInChI=1S/C15H29NS/c1-13(2)10-14(6-4-5-7-14)11-16-12-15(17-3)8-9-15/h13,16H,4-12H2,1-3H3
InChIKeyMRZLTHQDSOBRDZ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
CID 82017292
2-ethyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]butane-1,4-diamine
CID 81080504
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine
CID 102869767
methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281374
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675
2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine
CID 107270055
3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
CID 103367397

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (CID 114269796) is 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is CSC1(CNCC2(CC(C)C)CCCC2)CC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The InChIKey is MRZLTHQDSOBRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-13(2)10-14(6-4-5-7-14)11-16-12-15(17-3)8-9-15/h13,16H,4-12H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine has a molecular weight of 255.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 114269796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).