N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine

C17H37N3 — CID 126513357

IUPACN'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCCC1CCCCCCCCC1
InChIInChI=1S/C17H37N3/c18-12-14-20-16-15-19-13-8-11-17-9-6-4-2-1-3-5-7-10-17/h17,19-20H,1-16,18H2
InChIKeySMOIYSKHENQCJG-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.05
Rot. Bonds9

About N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine

N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine (PubChem CID 126513357) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
PubChem CID126513357
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCCC1CCCCCCCCC1
InChIInChI=1S/C17H37N3/c18-12-14-20-16-15-19-13-8-11-17-9-6-4-2-1-3-5-7-10-17/h17,19-20H,1-16,18H2
InChIKeySMOIYSKHENQCJG-UHFFFAOYSA-N
XLogP3.05
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-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'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
CID 159351931
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-cyclohexyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 60998000
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
3-cyclohexylpropan-1-amine;ethane
CID 143945055
6-cyclohexylhexan-1-amine
CID 19875455
N-(3-cyclopentylpropyl)pent-4-en-1-amine
CID 106010673
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
2-cycloheptatriacontylethanamine
CID 70967764
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine (CID 126513357) is N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine is NCCNCCNCCCC1CCCCCCCCC1.
What is the InChIKey of N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine?
The InChIKey is SMOIYSKHENQCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c18-12-14-20-16-15-19-13-8-11-17-9-6-4-2-1-3-5-7-10-17/h17,19-20H,1-16,18H2.
What are the key properties of N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine?
N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 126513357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).