N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine

C16H24N2 — CID 122442982

IUPACN'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine
SMILESNCCCCNC1CC12CCCc1ccccc12
InChIInChI=1S/C16H24N2/c17-10-3-4-11-18-15-12-16(15)9-5-7-13-6-1-2-8-14(13)16/h1-2,6,8,15,18H,3-5,7,9-12,17H2
InChIKeyJYJJOYBSUFJIFX-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.36
Rot. Bonds5

About N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine

N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine (PubChem CID 122442982) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine
PubChem CID122442982
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine
SMILESNCCCCNC1CC12CCCc1ccccc12
InChIInChI=1S/C16H24N2/c17-10-3-4-11-18-15-12-16(15)9-5-7-13-6-1-2-8-14(13)16/h1-2,6,8,15,18H,3-5,7,9-12,17H2
InChIKeyJYJJOYBSUFJIFX-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine?
The IUPAC name of N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine (CID 122442982) is N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine.
What is the SMILES notation for N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine?
The canonical SMILES for N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine is NCCCCNC1CC12CCCc1ccccc12.
What is the InChIKey of N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine?
The InChIKey is JYJJOYBSUFJIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-10-3-4-11-18-15-12-16(15)9-5-7-13-6-1-2-8-14(13)16/h1-2,6,8,15,18H,3-5,7,9-12,17H2.
What are the key properties of N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine?
N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine is sourced from PubChem (CID 122442982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).