5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine

C17H19N3 — CID 10084226

IUPAC5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine
SMILESNc1cccc2c1Nc1ccccc1N(CC1CC1)C2
InChIInChI=1S/C17H19N3/c18-14-5-3-4-13-11-20(10-12-8-9-12)16-7-2-1-6-15(16)19-17(13)14/h1-7,12,19H,8-11,18H2
InChIKeyOUNDHFUQJKOTPN-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.74
Rot. Bonds2

About 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine

5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine (PubChem CID 10084226) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine
PubChem CID10084226
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine
SMILESNc1cccc2c1Nc1ccccc1N(CC1CC1)C2
InChIInChI=1S/C17H19N3/c18-14-5-3-4-13-11-20(10-12-8-9-12)16-7-2-1-6-15(16)19-17(13)14/h1-7,12,19H,8-11,18H2
InChIKeyOUNDHFUQJKOTPN-UHFFFAOYSA-N
XLogP3.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.74
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

8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one
CID 68705938
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CID 97169092
2-methyl-1,3-dihydroindazol-7-amine
CID 123500749
1-(cyclopropylmethyl)-3-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79906500
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
2-(cyclopentylmethyl)-3H-isoindol-1-imine
CID 43371148
[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methanamine
CID 115105603
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 68704538
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,4-dihydroquinazoline-2-thione
CID 97169874
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine?
The IUPAC name of 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine (CID 10084226) is 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine is Nc1cccc2c1Nc1ccccc1N(CC1CC1)C2.
What is the InChIKey of 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine?
The InChIKey is OUNDHFUQJKOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-14-5-3-4-13-11-20(10-12-8-9-12)16-7-2-1-6-15(16)19-17(13)14/h1-7,12,19H,8-11,18H2.
What are the key properties of 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine?
5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine has a molecular weight of 265.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine is sourced from PubChem (CID 10084226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).