4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine

C18H26N2 — CID 122649635

IUPAC4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(N)CC1
InChIInChI=1S/C18H26N2/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)20-16-9-7-15(19)8-10-16/h2-6,11,15-18,20H,7-10,12,19H2,1H3/b13-11+/t15?,16?,17-,18+/m0/s1
InChIKeyMPIYKRQZDJCNSL-DPFJXYGPSA-N
MW270.42 g/mol
LogP3.34
Rot. Bonds4

About 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine

4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 122649635) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
PubChem CID122649635
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(N)CC1
InChIInChI=1S/C18H26N2/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)20-16-9-7-15(19)8-10-16/h2-6,11,15-18,20H,7-10,12,19H2,1H3/b13-11+/t15?,16?,17-,18+/m0/s1
InChIKeyMPIYKRQZDJCNSL-DPFJXYGPSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine (CID 122649635) is 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine is C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(N)CC1.
What is the InChIKey of 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is MPIYKRQZDJCNSL-DPFJXYGPSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)20-16-9-7-15(19)8-10-16/h2-6,11,15-18,20H,7-10,12,19H2,1H3/b13-11+/t15?,16?,17-,18+/m0/s1.
What are the key properties of 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 270.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 122649635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).