1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine

C16H24N2 — CID 18630970

IUPAC1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2Cc3ccccc3C2)CCCCC1
InChIInChI=1S/C16H24N2/c17-16(8-4-1-5-9-16)10-11-18-12-14-6-2-3-7-15(14)13-18/h2-3,6-7H,1,4-5,8-13,17H2
InChIKeyNCECDSAPPFOLBX-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.05
Rot. Bonds3

About 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine

1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 18630970) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID18630970
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2Cc3ccccc3C2)CCCCC1
InChIInChI=1S/C16H24N2/c17-16(8-4-1-5-9-16)10-11-18-12-14-6-2-3-7-15(14)13-18/h2-3,6-7H,1,4-5,8-13,17H2
InChIKeyNCECDSAPPFOLBX-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine (CID 18630970) is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine is NC1(CCN2Cc3ccccc3C2)CCCCC1.
What is the InChIKey of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is NCECDSAPPFOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-16(8-4-1-5-9-16)10-11-18-12-14-6-2-3-7-15(14)13-18/h2-3,6-7H,1,4-5,8-13,17H2.
What are the key properties of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 18630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).