1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine

C18H30N2O2 — CID 22033765

IUPAC1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCCOC(OCC)C1(C(CN)NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13,19H2,1-3H3
InChIKeyVOKPCRAZAWLMSK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.84
Rot. Bonds10

About 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine

1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 22033765) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID22033765
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCCOC(OCC)C1(C(CN)NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13,19H2,1-3H3
InChIKeyVOKPCRAZAWLMSK-UHFFFAOYSA-N
XLogP2.84
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile
CID 69462298
(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile
CID 69461994
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
4-methylsulfanyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 65193662
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
(2,2-diethoxy-1-phenylethyl)hydrazine
CID 10823027
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine (CID 22033765) is 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine is CCOC(OCC)C1(C(CN)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is VOKPCRAZAWLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13,19H2,1-3H3.
What are the key properties of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 22033765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).