N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine

C16H19BrN2 — CID 81467875

IUPACN-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc3cc(Br)ccc3c2)CN1C
InChIInChI=1S/C16H19BrN2/c1-11-7-16(10-19(11)2)18-15-6-4-12-8-14(17)5-3-13(12)9-15/h3-6,8-9,11,16,18H,7,10H2,1-2H3
InChIKeyBKVLGXGQHDSDOR-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.11
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine

N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81467875) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81467875
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc3cc(Br)ccc3c2)CN1C
InChIInChI=1S/C16H19BrN2/c1-11-7-16(10-19(11)2)18-15-6-4-12-8-14(17)5-3-13(12)9-15/h3-6,8-9,11,16,18H,7,10H2,1-2H3
InChIKeyBKVLGXGQHDSDOR-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine (CID 81467875) is N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2ccc3cc(Br)ccc3c2)CN1C.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is BKVLGXGQHDSDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-7-16(10-19(11)2)18-15-6-4-12-8-14(17)5-3-13(12)9-15/h3-6,8-9,11,16,18H,7,10H2,1-2H3.
What are the key properties of N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine?
N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 319.25 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81467875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).