3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine

C15H17BrN2 — CID 81260171

IUPAC3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C15H17BrN2/c16-12-3-1-11-8-14(5-2-10(11)7-12)18-15-6-4-13(17)9-15/h1-3,5,7-8,13,15,18H,4,6,9,17H2
InChIKeyYDVOJAMXJUOUFA-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.89
Rot. Bonds2

About 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine

3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine (PubChem CID 81260171) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
PubChem CID81260171
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C15H17BrN2/c16-12-3-1-11-8-14(5-2-10(11)7-12)18-15-6-4-13(17)9-15/h1-3,5,7-8,13,15,18H,4,6,9,17H2
InChIKeyYDVOJAMXJUOUFA-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-cyclobutylnaphthalen-2-amine
CID 81260482
N-(6-bromonaphthalen-2-yl)oxan-4-amine
CID 81260159
3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine
CID 81266205
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
CID 79462709
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
CID 178138504
N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81467875
2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521
3-N-(9H-fluoren-2-yl)cyclopentane-1,3-diamine
CID 79461943
1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
CID 79458952

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine (CID 81260171) is 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine is NC1CCC(Nc2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine?
The InChIKey is YDVOJAMXJUOUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-12-3-1-11-8-14(5-2-10(11)7-12)18-15-6-4-13(17)9-15/h1-3,5,7-8,13,15,18H,4,6,9,17H2.
What are the key properties of 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine?
3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine has a molecular weight of 305.22 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 81260171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).