N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

C13H26N2O2 — CID 81090110

IUPACN-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCOC(CN(CC1CCNCC1)C1CC1)OC
InChIInChI=1S/C13H26N2O2/c1-16-13(17-2)10-15(12-3-4-12)9-11-5-7-14-8-6-11/h11-14H,3-10H2,1-2H3
InChIKeyLQXDJQCNVCZHKR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.07
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 81090110) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID81090110
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCOC(CN(CC1CCNCC1)C1CC1)OC
InChIInChI=1S/C13H26N2O2/c1-16-13(17-2)10-15(12-3-4-12)9-11-5-7-14-8-6-11/h11-14H,3-10H2,1-2H3
InChIKeyLQXDJQCNVCZHKR-UHFFFAOYSA-N
XLogP1.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
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

N-(2,2-dimethoxyethyl)-N-ethylpiperidin-4-amine
CID 66220831
3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol
CID 82850216
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
CID 79714267
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
CID 66222322
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
3-methyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79715188
N-[(5-methyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 82838195
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine
CID 64522017

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 81090110) is N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is COC(CN(CC1CCNCC1)C1CC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is LQXDJQCNVCZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-16-13(17-2)10-15(12-3-4-12)9-11-5-7-14-8-6-11/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 242.36 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 81090110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).