N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine

C18H28N2 — CID 106511543

IUPACN'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C1CCC12CCCCC2
InChIInChI=1S/C18H28N2/c19-13-14-20(15-16-7-3-1-4-8-16)17-9-12-18(17)10-5-2-6-11-18/h1,3-4,7-8,17H,2,5-6,9-15,19H2
InChIKeyUERKEKBEKAZINQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.56
Rot. Bonds5

About N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine

N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine (PubChem CID 106511543) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine
PubChem CID106511543
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C1CCC12CCCCC2
InChIInChI=1S/C18H28N2/c19-13-14-20(15-16-7-3-1-4-8-16)17-9-12-18(17)10-5-2-6-11-18/h1,3-4,7-8,17H,2,5-6,9-15,19H2
InChIKeyUERKEKBEKAZINQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine 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'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine
CID 130554815
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 63937836
N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
CID 106511136
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-benzyl-N'-(2-methylthian-3-yl)propane-1,3-diamine
CID 107364883
N,N-dibenzylcyclobutanamine
CID 70822586
trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
CID 137450440
N'-benzyl-N'-(1,1-dioxothian-4-yl)propane-1,3-diamine
CID 107365146
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
CID 130503382
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768
2-[(2-aminocyclopentyl)-benzylamino]ethanol
CID 62114262
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine (CID 106511543) is N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine is NCCN(Cc1ccccc1)C1CCC12CCCCC2.
What is the InChIKey of N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine?
The InChIKey is UERKEKBEKAZINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c19-13-14-20(15-16-7-3-1-4-8-16)17-9-12-18(17)10-5-2-6-11-18/h1,3-4,7-8,17H,2,5-6,9-15,19H2.
What are the key properties of N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine?
N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine is sourced from PubChem (CID 106511543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).