1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine

C15H25BrN2O — CID 116758395

IUPAC1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cncc(Br)c1)C(C)(CC)OC
InChIInChI=1S/C15H25BrN2O/c1-5-7-18-14(15(3,6-2)19-4)9-12-8-13(16)11-17-10-12/h8,10-11,14,18H,5-7,9H2,1-4H3
InChIKeyYEKVPSCSJPEBEV-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.57
Rot. Bonds8

About 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine

1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine (PubChem CID 116758395) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
PubChem CID116758395
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cncc(Br)c1)C(C)(CC)OC
InChIInChI=1S/C15H25BrN2O/c1-5-7-18-14(15(3,6-2)19-4)9-12-8-13(16)11-17-10-12/h8,10-11,14,18H,5-7,9H2,1-4H3
InChIKeyYEKVPSCSJPEBEV-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
1-(5-bromo-3-pyridinyl)-2-N,3-N,3-N-triethyl-3-methylpentane-2,3-diamine
CID 104802945
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239177
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
3-methoxy-3-methyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 116758123
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine (CID 116758395) is 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1cncc(Br)c1)C(C)(CC)OC.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The InChIKey is YEKVPSCSJPEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-5-7-18-14(15(3,6-2)19-4)9-12-8-13(16)11-17-10-12/h8,10-11,14,18H,5-7,9H2,1-4H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine has a molecular weight of 329.28 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116758395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).