1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine

C18H20N2 — CID 105006553

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H20N2/c1-11-8-9-20-10-15(11)18(19)17-14-7-6-12-4-2-3-5-13(12)16(14)17/h2-5,8-10,14,16-18H,6-7,19H2,1H3
InChIKeyOHADTMKQFMKOQN-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.37
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine (PubChem CID 105006553) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine
PubChem CID105006553
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H20N2/c1-11-8-9-20-10-15(11)18(19)17-14-7-6-12-4-2-3-5-13(12)16(14)17/h2-5,8-10,14,16-18H,6-7,19H2,1H3
InChIKeyOHADTMKQFMKOQN-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine (CID 105006553) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)C1C2CCc3ccccc3C21.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is OHADTMKQFMKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-11-8-9-20-10-15(11)18(19)17-14-7-6-12-4-2-3-5-13(12)16(14)17/h2-5,8-10,14,16-18H,6-7,19H2,1H3.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 264.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105006553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).