N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine

C13H17N3 — CID 143836198

IUPACN-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine
SMILES[H]/N=C(CNc1ccc2c(c1)CCC2)\C(C)=N\[H]
InChIInChI=1S/C13H17N3/c1-9(14)13(15)8-16-12-6-5-10-3-2-4-11(10)7-12/h5-7,14-16H,2-4,8H2,1H3/b14-9+,15-13-
InChIKeyNRCUOIOIVJIGNJ-NECJJZFNSA-N
MW215.30 g/mol
LogP2.65
Rot. Bonds4

About N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine

N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 143836198) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID143836198
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine
SMILES[H]/N=C(CNc1ccc2c(c1)CCC2)\C(C)=N\[H]
InChIInChI=1S/C13H17N3/c1-9(14)13(15)8-16-12-6-5-10-3-2-4-11(10)7-12/h5-7,14-16H,2-4,8H2,1H3/b14-9+,15-13-
InChIKeyNRCUOIOIVJIGNJ-NECJJZFNSA-N
XLogP2.65
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide
CID 28578150
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180

Frequently Asked Questions

What is the IUPAC name of N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine (CID 143836198) is N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine is [H]/N=C(CNc1ccc2c(c1)CCC2)\C(C)=N\[H].
What is the InChIKey of N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is NRCUOIOIVJIGNJ-NECJJZFNSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(14)13(15)8-16-12-6-5-10-3-2-4-11(10)7-12/h5-7,14-16H,2-4,8H2,1H3/b14-9+,15-13-.
What are the key properties of N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine?
N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 143836198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).