1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine

C13H26N2O — CID 104584666

IUPAC1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
SMILESCC(C)OCCNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-10(2)16-7-6-14-12-8-11(3)15(9-12)13-4-5-13/h10-14H,4-9H2,1-3H3
InChIKeyYCALKBDRYXRTOH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine (PubChem CID 104584666) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
PubChem CID104584666
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
SMILESCC(C)OCCNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-10(2)16-7-6-14-12-8-11(3)15(9-12)13-4-5-13/h10-14H,4-9H2,1-3H3
InChIKeyYCALKBDRYXRTOH-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
rac-4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine,cis
CID 99868085
(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
4-(5-Methylpyrrolidin-3-yl)morpholine
CID 119030994
{[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl}(methyl)amine
CID 121552283
(3S)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230824
rac-(3S,4S)-N-cyclohexyl-1-isopropyl-4-methoxypyrrolidin-3-amine
CID 131915740
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 55092311
N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 80696040
N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 81107336
1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
CID 81332976

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine (CID 104584666) is 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine is CC(C)OCCNC1CC(C)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
The InChIKey is YCALKBDRYXRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)16-7-6-14-12-8-11(3)15(9-12)13-4-5-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 104584666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).