N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine

C11H15Br2NOS — CID 102835320

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-15-10-4-2-3-9(10)14-6-7-5-8(12)11(13)16-7/h5,9-10,14H,2-4,6H2,1H3
InChIKeyPQNUBGXGOXBVPC-UHFFFAOYSA-N
MW369.12 g/mol
LogP3.93
Rot. Bonds4

About N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine (PubChem CID 102835320) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
PubChem CID102835320
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-15-10-4-2-3-9(10)14-6-7-5-8(12)11(13)16-7/h5,9-10,14H,2-4,6H2,1H3
InChIKeyPQNUBGXGOXBVPC-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62087491
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248527
2-methoxy-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732649
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 62474062
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 102836416
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine
CID 112582298

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine (CID 102835320) is N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine is COC1CCCC1NCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is PQNUBGXGOXBVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-15-10-4-2-3-9(10)14-6-7-5-8(12)11(13)16-7/h5,9-10,14H,2-4,6H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 369.12 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 102835320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).