2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine

C14H29NS — CID 107270055

IUPAC2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine
SMILESCSC1(CNC(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C14H29NS/c1-11(2)8-13(9-12(3)4)15-10-14(16-5)6-7-14/h11-13,15H,6-10H2,1-5H3
InChIKeyKXJRNAVZSWZWTI-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.93
Rot. Bonds8

About 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine

2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine (PubChem CID 107270055) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine
PubChem CID107270055
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine
SMILESCSC1(CNC(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C14H29NS/c1-11(2)8-13(9-12(3)4)15-10-14(16-5)6-7-14/h11-13,15H,6-10H2,1-5H3
InChIKeyKXJRNAVZSWZWTI-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
CID 81344009
N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
CID 115892015
N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
CID 107269730
1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 114269796
N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
CID 107266190
1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270109
1-(2,3-difluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107269897
1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107266180
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270073
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107269986
N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 107267283
3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine
CID 114228293

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine (CID 107270055) is 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine is CSC1(CNC(CC(C)C)CC(C)C)CC1.
What is the InChIKey of 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine?
The InChIKey is KXJRNAVZSWZWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-11(2)8-13(9-12(3)4)15-10-14(16-5)6-7-14/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine?
2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine has a molecular weight of 243.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine is sourced from PubChem (CID 107270055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).