(2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine

C15H22BrNS — CID 58458170

IUPAC(2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine
SMILESC=C(C(C)C)[C@H](CNCC1CC1)c1ccc(Br)s1
InChIInChI=1S/C15H22BrNS/c1-10(2)11(3)13(9-17-8-12-4-5-12)14-6-7-15(16)18-14/h6-7,10,12-13,17H,3-5,8-9H2,1-2H3/t13-/m0/s1
InChIKeyPTHWPUSSBWYUKT-ZDUSSCGKSA-N
MW328.32 g/mol
LogP4.81
Rot. Bonds7

About (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine

(2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine (PubChem CID 58458170) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name(2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine
PubChem CID58458170
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name(2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine
SMILESC=C(C(C)C)[C@H](CNCC1CC1)c1ccc(Br)s1
InChIInChI=1S/C15H22BrNS/c1-10(2)11(3)13(9-17-8-12-4-5-12)14-6-7-15(16)18-14/h6-7,10,12-13,17H,3-5,8-9H2,1-2H3/t13-/m0/s1
InChIKeyPTHWPUSSBWYUKT-ZDUSSCGKSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine?
The IUPAC name of (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine (CID 58458170) is (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine is C=C(C(C)C)[C@H](CNCC1CC1)c1ccc(Br)s1.
What is the InChIKey of (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine?
The InChIKey is PTHWPUSSBWYUKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-10(2)11(3)13(9-17-8-12-4-5-12)14-6-7-15(16)18-14/h6-7,10,12-13,17H,3-5,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine?
(2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine has a molecular weight of 328.32 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromothiophen-2-yl)-N-(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 58458170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).