N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine

C12H26N2O — CID 62573665

IUPACN'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNC1CCCCCC1
InChIInChI=1S/C12H26N2O/c1-15-11-10-13-8-9-14-12-6-4-2-3-5-7-12/h12-14H,2-11H2,1H3
InChIKeyADXUAZBFSVPWBJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds7

About N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine

N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62573665) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62573665
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNC1CCCCCC1
InChIInChI=1S/C12H26N2O/c1-15-11-10-13-8-9-14-12-6-4-2-3-5-7-12/h12-14H,2-11H2,1H3
InChIKeyADXUAZBFSVPWBJ-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
N'-cyclopentyl-N-ethylethane-1,2-diamine
CID 61150069
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N-(2-methoxyethyl)-N'-(2-methylcyclopropyl)ethane-1,2-diamine
CID 79291214
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-[2-(2-methoxyethylamino)ethyl]cyclohexanesulfonamide
CID 83039706

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine (CID 62573665) is N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is ADXUAZBFSVPWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-15-11-10-13-8-9-14-12-6-4-2-3-5-7-12/h12-14H,2-11H2,1H3.
What are the key properties of N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62573665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).