N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine

C13H23BrN4O — CID 106462943

IUPACN-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)nnn1C)C1(OC)CCCC1
InChIInChI=1S/C13H23BrN4O/c1-4-9-15-11(10-12(14)16-17-18(10)2)13(19-3)7-5-6-8-13/h11,15H,4-9H2,1-3H3
InChIKeyVSQVYSNMWHILAC-UHFFFAOYSA-N
MW331.26 g/mol
LogP2.58
Rot. Bonds6

About N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine

N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine (PubChem CID 106462943) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
PubChem CID106462943
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC NameN-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)nnn1C)C1(OC)CCCC1
InChIInChI=1S/C13H23BrN4O/c1-4-9-15-11(10-12(14)16-17-18(10)2)13(19-3)7-5-6-8-13/h11,15H,4-9H2,1-3H3
InChIKeyVSQVYSNMWHILAC-UHFFFAOYSA-N
XLogP2.58
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 106466257
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 106462655
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 114660949
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 106463034
N-[1-(5-bromo-3-methyltriazol-4-yl)-2,2-difluoroethyl]propan-1-amine
CID 106465403
N-[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 106464590
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 106464746
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 106463020

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine (CID 106462943) is N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine is CCCNC(c1c(Br)nnn1C)C1(OC)CCCC1.
What is the InChIKey of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is VSQVYSNMWHILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-4-9-15-11(10-12(14)16-17-18(10)2)13(19-3)7-5-6-8-13/h11,15H,4-9H2,1-3H3.
What are the key properties of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine?
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 331.26 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 106462943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).