N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine

C19H28N2 — CID 122641426

IUPACN-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine
SMILESCC(C)/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCNCC1
InChIInChI=1S/C19H28N2/c1-14(2)17(12-15-6-4-3-5-7-15)18-13-19(18)21-16-8-10-20-11-9-16/h3-7,12,14,16,18-21H,8-11,13H2,1-2H3/b17-12+/t18-,19+/m0/s1
InChIKeyUAJTWPURXGRCRD-FNABCDGWSA-N
MW284.45 g/mol
LogP3.46
Rot. Bonds5

About N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine

N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine (PubChem CID 122641426) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine
PubChem CID122641426
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine
SMILESCC(C)/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCNCC1
InChIInChI=1S/C19H28N2/c1-14(2)17(12-15-6-4-3-5-7-15)18-13-19(18)21-16-8-10-20-11-9-16/h3-7,12,14,16,18-21H,8-11,13H2,1-2H3/b17-12+/t18-,19+/m0/s1
InChIKeyUAJTWPURXGRCRD-FNABCDGWSA-N
XLogP3.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine (CID 122641426) is N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine is CC(C)/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCNCC1.
What is the InChIKey of N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine?
The InChIKey is UAJTWPURXGRCRD-FNABCDGWSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(2)17(12-15-6-4-3-5-7-15)18-13-19(18)21-16-8-10-20-11-9-16/h3-7,12,14,16,18-21H,8-11,13H2,1-2H3/b17-12+/t18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine?
N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine has a molecular weight of 284.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine is sourced from PubChem (CID 122641426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).