N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine

C13H20BrNS — CID 106798013

IUPACN-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrNS/c1-3-8-15-10(2)13(6-7-13)9-11-4-5-12(14)16-11/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyQBPQGLZYAMZDSK-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.22
Rot. Bonds6

About N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106798013) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106798013
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrNS/c1-3-8-15-10(2)13(6-7-13)9-11-4-5-12(14)16-11/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyQBPQGLZYAMZDSK-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66023790
N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 63507825
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798000
5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine
CID 106797917
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797934

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106798013) is N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2ccc(Br)s2)CC1.
What is the InChIKey of N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is QBPQGLZYAMZDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-8-15-10(2)13(6-7-13)9-11-4-5-12(14)16-11/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106798013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).