(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine

C13H26N2O — CID 97230823

IUPAC(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
SMILESCC(C)COCCN[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)10-16-8-6-14-12-5-7-15(9-12)13-3-4-13/h11-14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyVQLMPGCPYJDUGT-GFCCVEGCSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds7

About (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine

(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine (PubChem CID 97230823) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
PubChem CID97230823
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
SMILESCC(C)COCCN[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)10-16-8-6-14-12-5-7-15(9-12)13-3-4-13/h11-14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyVQLMPGCPYJDUGT-GFCCVEGCSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
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

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111919454
N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
CID 81079562
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
1-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-methoxypropan-2-ol
CID 63930703
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine
CID 65047874
N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
CID 62835220
N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
CID 114227665

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine (CID 97230823) is (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine is CC(C)COCCN[C@@H]1CCN(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is VQLMPGCPYJDUGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)10-16-8-6-14-12-5-7-15(9-12)13-3-4-13/h11-14H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine?
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 97230823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).