N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine

C21H44N2 — CID 159351931

IUPACN'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
SMILESNCCNCCCCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C21H44N2/c22-18-20-23-19-14-13-17-21-15-11-9-7-5-3-1-2-4-6-8-10-12-16-21/h21,23H,1-20,22H2
InChIKeyMXFQGOFCWFZPNJ-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.80
Rot. Bonds7

About N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine

N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine (PubChem CID 159351931) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
PubChem CID159351931
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC NameN'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
SMILESNCCNCCCCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C21H44N2/c22-18-20-23-19-14-13-17-21-15-11-9-7-5-3-1-2-4-6-8-10-12-16-21/h21,23H,1-20,22H2
InChIKeyMXFQGOFCWFZPNJ-UHFFFAOYSA-N
XLogP5.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.80
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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Related Compounds

N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
CID 126513357
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
6-cyclohexylhexan-1-amine
CID 19875455
4-cyclopentylbutylcyclohexane
CID 144547696
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-cyclohexylpropan-1-amine;ethane
CID 143945055
N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine
CID 21396646
2-cycloheptatriacontylethanamine
CID 70967764
3-cyclohexadecylpropylcyclohexadecane
CID 57270632

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine (CID 159351931) is N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine is NCCNCCCCC1CCCCCCCCCCCCCC1.
What is the InChIKey of N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine?
The InChIKey is MXFQGOFCWFZPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c22-18-20-23-19-14-13-17-21-15-11-9-7-5-3-1-2-4-6-8-10-12-16-21/h21,23H,1-20,22H2.
What are the key properties of N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine?
N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine has a molecular weight of 324.60 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 159351931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).