1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine

C14H22BrN3 — CID 113469387

IUPAC1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3/c15-12-7-11(9-17-10-12)14(8-16)18-13-5-3-1-2-4-6-13/h7,9-10,13-14,18H,1-6,8,16H2
InChIKeyBFJUDKKEVAGMEN-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.16
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine

1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine (PubChem CID 113469387) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
PubChem CID113469387
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3/c15-12-7-11(9-17-10-12)14(8-16)18-13-5-3-1-2-4-6-13/h7,9-10,13-14,18H,1-6,8,16H2
InChIKeyBFJUDKKEVAGMEN-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 113475113
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate
CID 113469426
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
CID 65381151
N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
CID 65380747
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
N-cyclopropyl-1-pyridin-3-ylethane-1,2-diamine
CID 62069804
3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine
CID 160746575
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
CID 66158422

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine (CID 113469387) is 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine is NCC(NC1CCCCCC1)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine?
The InChIKey is BFJUDKKEVAGMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c15-12-7-11(9-17-10-12)14(8-16)18-13-5-3-1-2-4-6-13/h7,9-10,13-14,18H,1-6,8,16H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine?
1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine has a molecular weight of 312.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine is sourced from PubChem (CID 113469387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).