1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine

C18H29N3 — CID 79736616

IUPAC1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(C)C1(CNC2CCc3cc(N)ccc32)CCCCC1
InChIInChI=1S/C18H29N3/c1-21(2)18(10-4-3-5-11-18)13-20-17-9-6-14-12-15(19)7-8-16(14)17/h7-8,12,17,20H,3-6,9-11,13,19H2,1-2H3
InChIKeyKHXLLYLRBALLHB-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.11
Rot. Bonds4

About 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79736616) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79736616
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(C)C1(CNC2CCc3cc(N)ccc32)CCCCC1
InChIInChI=1S/C18H29N3/c1-21(2)18(10-4-3-5-11-18)13-20-17-9-6-14-12-15(19)7-8-16(14)17/h7-8,12,17,20H,3-6,9-11,13,19H2,1-2H3
InChIKeyKHXLLYLRBALLHB-UHFFFAOYSA-N
XLogP3.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79736616) is 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine is CN(C)C1(CNC2CCc3cc(N)ccc32)CCCCC1.
What is the InChIKey of 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is KHXLLYLRBALLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-21(2)18(10-4-3-5-11-18)13-20-17-9-6-14-12-15(19)7-8-16(14)17/h7-8,12,17,20H,3-6,9-11,13,19H2,1-2H3.
What are the key properties of 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 287.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79736616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).