N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine

C18H27ClN2 — CID 83066102

IUPACN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC2c3cc(Cl)ccc3CC2(C)C)CC1
InChIInChI=1S/C18H27ClN2/c1-4-21-9-7-15(8-10-21)20-17-16-11-14(19)6-5-13(16)12-18(17,2)3/h5-6,11,15,17,20H,4,7-10,12H2,1-3H3
InChIKeySIVLWNPIYBMNGT-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.04
Rot. Bonds3

About N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine

N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine (PubChem CID 83066102) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine
PubChem CID83066102
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC NameN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC2c3cc(Cl)ccc3CC2(C)C)CC1
InChIInChI=1S/C18H27ClN2/c1-4-21-9-7-15(8-10-21)20-17-16-11-14(19)6-5-13(16)12-18(17,2)3/h5-6,11,15,17,20H,4,7-10,12H2,1-3H3
InChIKeySIVLWNPIYBMNGT-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine (CID 83066102) is N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine is CCN1CCC(NC2c3cc(Cl)ccc3CC2(C)C)CC1.
What is the InChIKey of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine?
The InChIKey is SIVLWNPIYBMNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-4-21-9-7-15(8-10-21)20-17-16-11-14(19)6-5-13(16)12-18(17,2)3/h5-6,11,15,17,20H,4,7-10,12H2,1-3H3.
What are the key properties of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine?
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine has a molecular weight of 306.88 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 83066102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).