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

C18H31N3 — CID 79737102

IUPAC1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCC(CC)C(CNC1CCc2cc(N)ccc21)N(C)C
InChIInChI=1S/C18H31N3/c1-5-13(6-2)18(21(3)4)12-20-17-10-7-14-11-15(19)8-9-16(14)17/h8-9,11,13,17-18,20H,5-7,10,12,19H2,1-4H3
InChIKeyDZTVSABWPJNNJO-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.21
Rot. Bonds7

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

1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79737102) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79737102
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCC(CC)C(CNC1CCc2cc(N)ccc21)N(C)C
InChIInChI=1S/C18H31N3/c1-5-13(6-2)18(21(3)4)12-20-17-10-7-14-11-15(19)8-9-16(14)17/h8-9,11,13,17-18,20H,5-7,10,12,19H2,1-4H3
InChIKeyDZTVSABWPJNNJO-UHFFFAOYSA-N
XLogP3.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 113477076
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
3-ethyl-2-N,2-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentane-1,2-diamine
CID 43101560
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 115708917
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768
1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730901
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 83116527
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
1-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79736616
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
CID 107251370
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79737102) is 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine is CCC(CC)C(CNC1CCc2cc(N)ccc21)N(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is DZTVSABWPJNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-13(6-2)18(21(3)4)12-20-17-10-7-14-11-15(19)8-9-16(14)17/h8-9,11,13,17-18,20H,5-7,10,12,19H2,1-4H3.
What are the key properties of 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 289.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79737102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).