N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine

C13H19BrN2 — CID 115641200

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cn1)CC1CC1
InChIInChI=1S/C13H19BrN2/c1-10(2)16(8-11-3-4-11)9-13-6-5-12(14)7-15-13/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyCLDWYSMNRPFOAW-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.46
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine

N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine (PubChem CID 115641200) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
PubChem CID115641200
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cn1)CC1CC1
InChIInChI=1S/C13H19BrN2/c1-10(2)16(8-11-3-4-11)9-13-6-5-12(14)7-15-13/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyCLDWYSMNRPFOAW-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623970
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
2-N-[(5-bromo-2-pyridinyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190702
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine
CID 106993654
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
6-(aminomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-3-amine
CID 115486961
N-[[2-(aminomethyl)phenyl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55001479

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine (CID 115641200) is N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine is CC(C)N(Cc1ccc(Br)cn1)CC1CC1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine?
The InChIKey is CLDWYSMNRPFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(2)16(8-11-3-4-11)9-13-6-5-12(14)7-15-13/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine is sourced from PubChem (CID 115641200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).