N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine

C18H26N2 — CID 122463442

IUPACN-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CCCC21CC1NCC1CCCCN1
InChIInChI=1S/C18H26N2/c1-2-9-16-14(6-1)7-5-10-18(16)12-17(18)20-13-15-8-3-4-11-19-15/h1-2,6,9,15,17,19-20H,3-5,7-8,10-13H2
InChIKeyQLFDDDCQJDXHFH-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.76
Rot. Bonds3

About N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine

N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine (PubChem CID 122463442) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
PubChem CID122463442
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CCCC21CC1NCC1CCCCN1
InChIInChI=1S/C18H26N2/c1-2-9-16-14(6-1)7-5-10-18(16)12-17(18)20-13-15-8-3-4-11-19-15/h1-2,6,9,15,17,19-20H,3-5,7-8,10-13H2
InChIKeyQLFDDDCQJDXHFH-UHFFFAOYSA-N
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine (CID 122463442) is N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine is c1ccc2c(c1)CCCC21CC1NCC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The InChIKey is QLFDDDCQJDXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-9-16-14(6-1)7-5-10-18(16)12-17(18)20-13-15-8-3-4-11-19-15/h1-2,6,9,15,17,19-20H,3-5,7-8,10-13H2.
What are the key properties of N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine has a molecular weight of 270.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).