(1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine

C16H24N2 — CID 15967492

IUPAC(1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(NC=C1C=CC=CN1)C2
InChIInChI=1S/C16H24N2/c1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,11-12,14,17-18H,7-8,10H2,1-3H3/t12-,14?,16+/m1/s1
InChIKeyKCLNPZGVCCNCOB-LGKIWNRFSA-N
MW244.38 g/mol
LogP3.31
Rot. Bonds2

About (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine

(1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 15967492) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID15967492
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(NC=C1C=CC=CN1)C2
InChIInChI=1S/C16H24N2/c1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,11-12,14,17-18H,7-8,10H2,1-3H3/t12-,14?,16+/m1/s1
InChIKeyKCLNPZGVCCNCOB-LGKIWNRFSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine (CID 15967492) is (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)[C@@H]2CC[C@@]1(C)C(NC=C1C=CC=CN1)C2.
What is the InChIKey of (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KCLNPZGVCCNCOB-LGKIWNRFSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,11-12,14,17-18H,7-8,10H2,1-3H3/t12-,14?,16+/m1/s1.
What are the key properties of (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine?
(1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,7,7-trimethyl-N-(1H-pyridin-2-ylidenemethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 15967492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).