N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C17H29NOS — CID 116770493

IUPACN-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1C)C1(OC)CCCCCC1
InChIInChI=1S/C17H29NOS/c1-4-12-18-16(15-14(2)9-13-20-15)17(19-3)10-7-5-6-8-11-17/h9,13,16,18H,4-8,10-12H2,1-3H3
InChIKeyNFQMGXNTSSXPQI-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.84
Rot. Bonds6

About N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 116770493) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID116770493
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1C)C1(OC)CCCCCC1
InChIInChI=1S/C17H29NOS/c1-4-12-18-16(15-14(2)9-13-20-15)17(19-3)10-7-5-6-8-11-17/h9,13,16,18H,4-8,10-12H2,1-3H3
InChIKeyNFQMGXNTSSXPQI-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116766820
N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
CID 79988935
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
N-[(2,2-dimethylcyclopentyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 107177676
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611341

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 116770493) is N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1C)C1(OC)CCCCCC1.
What is the InChIKey of N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is NFQMGXNTSSXPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-12-18-16(15-14(2)9-13-20-15)17(19-3)10-7-5-6-8-11-17/h9,13,16,18H,4-8,10-12H2,1-3H3.
What are the key properties of N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116770493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).