N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide

C8H15BrF3N3 — CID 126835601

IUPACN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
SMILESBr.FC(F)(F)CCNC1=NCCCCN1
InChIInChI=1S/C8H14F3N3.BrH/c9-8(10,11)3-6-14-7-12-4-1-2-5-13-7;/h1-6H2,(H2,12,13,14);1H
InChIKeyMAHCTPBOJNZQCS-UHFFFAOYSA-N
MW290.13 g/mol
LogP1.85
Rot. Bonds2

About N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide

N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide (PubChem CID 126835601) has the molecular formula C8H15BrF3N3 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
PubChem CID126835601
Molecular FormulaC8H15BrF3N3
Molecular Weight290.13 g/mol
Exact Mass289.04
IUPAC NameN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
SMILESBr.FC(F)(F)CCNC1=NCCCCN1
InChIInChI=1S/C8H14F3N3.BrH/c9-8(10,11)3-6-14-7-12-4-1-2-5-13-7;/h1-6H2,(H2,12,13,14);1H
InChIKeyMAHCTPBOJNZQCS-UHFFFAOYSA-N
XLogP1.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide with MolForge

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Related Compounds

N-[2-[2-[2-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;dihydroiodide
CID 3068118
N-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241763
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241988
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
CID 139950285
N-[2-(3,5-dichlorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
CID 166242003
N-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethyl]acetamide
CID 164661243
N-[2-(5-methylpyrazin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
CID 126835658
N-[2-(4-methoxycyclohexyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422318
tert-butyl 2,2-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butanoate;hydroiodide
CID 122125604
4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide
CID 21417161
N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422349
N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
CID 19820500

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide (CID 126835601) is N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide is Br.FC(F)(F)CCNC1=NCCCCN1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide?
The InChIKey is MAHCTPBOJNZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3.BrH/c9-8(10,11)3-6-14-7-12-4-1-2-5-13-7;/h1-6H2,(H2,12,13,14);1H.
What are the key properties of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide?
N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide has a molecular weight of 290.13 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide is sourced from PubChem (CID 126835601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).