N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine

C17H25N — CID 115420243

IUPACN-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CCC(C)c1ccccc12
InChIInChI=1S/C17H25N/c1-3-10-18-12-14-11-17(14)9-8-13(2)15-6-4-5-7-16(15)17/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyWIYBOJFZEGWRMO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.84
Rot. Bonds4

About N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine

N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine (PubChem CID 115420243) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine
PubChem CID115420243
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CCC(C)c1ccccc12
InChIInChI=1S/C17H25N/c1-3-10-18-12-14-11-17(14)9-8-13(2)15-6-4-5-7-16(15)17/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyWIYBOJFZEGWRMO-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine (CID 115420243) is N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine is CCCNCC1CC12CCC(C)c1ccccc12.
What is the InChIKey of N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine?
The InChIKey is WIYBOJFZEGWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-10-18-12-14-11-17(14)9-8-13(2)15-6-4-5-7-16(15)17/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine?
N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine is sourced from PubChem (CID 115420243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).