(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine

C19H21N — CID 129294066

IUPAC(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
SMILESc1ccc(CN[C@@H]2C[C@]23CCCc2ccccc23)cc1
InChIInChI=1S/C19H21N/c1-2-7-15(8-3-1)14-20-18-13-19(18)12-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11,18,20H,6,10,12-14H2/t18-,19+/m1/s1
InChIKeyVJTQGEXWAQSFRI-MOPGFXCFSA-N
MW263.38 g/mol
LogP3.82
Rot. Bonds3

About (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine

(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine (PubChem CID 129294066) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
PubChem CID129294066
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
SMILESc1ccc(CN[C@@H]2C[C@]23CCCc2ccccc23)cc1
InChIInChI=1S/C19H21N/c1-2-7-15(8-3-1)14-20-18-13-19(18)12-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11,18,20H,6,10,12-14H2/t18-,19+/m1/s1
InChIKeyVJTQGEXWAQSFRI-MOPGFXCFSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-3-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463380
N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine
CID 122442982
N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463442
(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129285469
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 145339119
5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine
CID 138494165
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129294099
3-[2-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]carbamoyl]phenyl]propanoic acid
CID 166284924
(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
CID 129285061
N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
CID 99695886

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The IUPAC name of (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine (CID 129294066) is (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine.
What is the SMILES notation for (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The canonical SMILES for (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine is c1ccc(CN[C@@H]2C[C@]23CCCc2ccccc23)cc1.
What is the InChIKey of (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The InChIKey is VJTQGEXWAQSFRI-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H21N/c1-2-7-15(8-3-1)14-20-18-13-19(18)12-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11,18,20H,6,10,12-14H2/t18-,19+/m1/s1.
What are the key properties of (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine has a molecular weight of 263.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 129294066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).