(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine

C19H28N2O2 — CID 125479268

IUPAC(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
SMILESC=CCN(CC=C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1N
InChIInChI=1S/C19H28N2O2/c1-4-10-21(11-5-2)19-13-17(12-18(19)20)23-14-15-6-8-16(22-3)9-7-15/h4-9,17-19H,1-2,10-14,20H2,3H3/t17-,18-,19-/m1/s1
InChIKeyHVYLUHTUNZIPNA-GUDVDZBRSA-N
MW316.44 g/mol
LogP2.74
Rot. Bonds9

About (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine

(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine (PubChem CID 125479268) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
PubChem CID125479268
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
SMILESC=CCN(CC=C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1N
InChIInChI=1S/C19H28N2O2/c1-4-10-21(11-5-2)19-13-17(12-18(19)20)23-14-15-6-8-16(22-3)9-7-15/h4-9,17-19H,1-2,10-14,20H2,3H3/t17-,18-,19-/m1/s1
InChIKeyHVYLUHTUNZIPNA-GUDVDZBRSA-N
XLogP2.74
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
The IUPAC name of (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine (CID 125479268) is (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine.
What is the SMILES notation for (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
The canonical SMILES for (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine is C=CCN(CC=C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1N.
What is the InChIKey of (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
The InChIKey is HVYLUHTUNZIPNA-GUDVDZBRSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-10-21(11-5-2)19-13-17(12-18(19)20)23-14-15-6-8-16(22-3)9-7-15/h4-9,17-19H,1-2,10-14,20H2,3H3/t17-,18-,19-/m1/s1.
What are the key properties of (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine has a molecular weight of 316.44 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 125479268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).