N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine

C13H27NO2 — CID 63619184

IUPACN-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine
SMILESCCOC(CN(CC1CC1)C(C)C)OCC
InChIInChI=1S/C13H27NO2/c1-5-15-13(16-6-2)10-14(11(3)4)9-12-7-8-12/h11-13H,5-10H2,1-4H3
InChIKeyWGRNVZFDNQDYBO-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.51
Rot. Bonds9

About N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine

N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine (PubChem CID 63619184) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine
PubChem CID63619184
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine
SMILESCCOC(CN(CC1CC1)C(C)C)OCC
InChIInChI=1S/C13H27NO2/c1-5-15-13(16-6-2)10-14(11(3)4)9-12-7-8-12/h11-13H,5-10H2,1-4H3
InChIKeyWGRNVZFDNQDYBO-UHFFFAOYSA-N
XLogP2.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine (CID 63619184) is N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine is CCOC(CN(CC1CC1)C(C)C)OCC.
What is the InChIKey of N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine?
The InChIKey is WGRNVZFDNQDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-15-13(16-6-2)10-14(11(3)4)9-12-7-8-12/h11-13H,5-10H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine?
N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine is sourced from PubChem (CID 63619184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).