ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine

C19H32N2 — CID 161410894

IUPACethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC.CN1CCCCC1CCNC1Cc2ccccc2C1
InChIInChI=1S/C17H26N2.C2H6/c1-19-11-5-4-8-17(19)9-10-18-16-12-14-6-2-3-7-15(14)13-16;1-2/h2-3,6-7,16-18H,4-5,8-13H2,1H3;1-2H3
InChIKeyVVLJNPWQKKRQST-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.64
Rot. Bonds4

About ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine

ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 161410894) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Nameethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID161410894
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Nameethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC.CN1CCCCC1CCNC1Cc2ccccc2C1
InChIInChI=1S/C17H26N2.C2H6/c1-19-11-5-4-8-17(19)9-10-18-16-12-14-6-2-3-7-15(14)13-16;1-2/h2-3,6-7,16-18H,4-5,8-13H2,1H3;1-2H3
InChIKeyVVLJNPWQKKRQST-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]piperidin-1-yl]-methylborinic acid;ethane
CID 158622874
1-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-amine
CID 60694644
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 107913673
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 62416677
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 107910875
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 123281943
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 161410894) is ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is CC.CN1CCCCC1CCNC1Cc2ccccc2C1.
What is the InChIKey of ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VVLJNPWQKKRQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C2H6/c1-19-11-5-4-8-17(19)9-10-18-16-12-14-6-2-3-7-15(14)13-16;1-2/h2-3,6-7,16-18H,4-5,8-13H2,1H3;1-2H3.
What are the key properties of ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 161410894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).