4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine

C20H27N — CID 170087494

IUPAC4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(C[C@H]2C[C@@H]2C2=CCC3C=CC=CC3=C2)CC1
InChIInChI=1S/C20H27N/c21-19-9-5-14(6-10-19)11-18-13-20(18)17-8-7-15-3-1-2-4-16(15)12-17/h1-4,8,12,14-15,18-20H,5-7,9-11,13,21H2/t14?,15?,18-,19?,20+/m0/s1
InChIKeyNLDQIVROJNTURH-FLRZNGAOSA-N
MW281.44 g/mol
LogP4.53
Rot. Bonds3

About 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine

4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine (PubChem CID 170087494) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine
PubChem CID170087494
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(C[C@H]2C[C@@H]2C2=CCC3C=CC=CC3=C2)CC1
InChIInChI=1S/C20H27N/c21-19-9-5-14(6-10-19)11-18-13-20(18)17-8-7-15-3-1-2-4-16(15)12-17/h1-4,8,12,14-15,18-20H,5-7,9-11,13,21H2/t14?,15?,18-,19?,20+/m0/s1
InChIKeyNLDQIVROJNTURH-FLRZNGAOSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine (CID 170087494) is 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine is NC1CCC(C[C@H]2C[C@@H]2C2=CCC3C=CC=CC3=C2)CC1.
What is the InChIKey of 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine?
The InChIKey is NLDQIVROJNTURH-FLRZNGAOSA-N. The full InChI is InChI=1S/C20H27N/c21-19-9-5-14(6-10-19)11-18-13-20(18)17-8-7-15-3-1-2-4-16(15)12-17/h1-4,8,12,14-15,18-20H,5-7,9-11,13,21H2/t14?,15?,18-,19?,20+/m0/s1.
What are the key properties of 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine?
4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 170087494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).