N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

C17H29NOS — CID 116770453

IUPACN-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1(OC)CCCCCC1
InChIInChI=1S/C17H29NOS/c1-4-11-18-16(15-12-14(2)20-13-15)17(19-3)9-7-5-6-8-10-17/h12-13,16,18H,4-11H2,1-3H3
InChIKeyBZVKVRVXKKGMQY-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.84
Rot. Bonds6

About N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 116770453) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID116770453
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1(OC)CCCCCC1
InChIInChI=1S/C17H29NOS/c1-4-11-18-16(15-12-14(2)20-13-15)17(19-3)9-7-5-6-8-10-17/h12-13,16,18H,4-11H2,1-3H3
InChIKeyBZVKVRVXKKGMQY-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

[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105278327
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
CID 116753501
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116767394
N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 65105153
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
[(1-ethoxycyclopentyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105275848
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (CID 116770453) is N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)C1(OC)CCCCCC1.
What is the InChIKey of N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is BZVKVRVXKKGMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-11-18-16(15-12-14(2)20-13-15)17(19-3)9-7-5-6-8-10-17/h12-13,16,18H,4-11H2,1-3H3.
What are the key properties of N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-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)-(5-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 116770453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).