N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine

C15H25N3 — CID 82244569

IUPACN,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine
SMILESCc1ccc2c(c1)CNCCN2CCCN(C)C
InChIInChI=1S/C15H25N3/c1-13-5-6-15-14(11-13)12-16-7-10-18(15)9-4-8-17(2)3/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyFPELRMFCCSNOFZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.86
Rot. Bonds4

About N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine

N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine (PubChem CID 82244569) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine
PubChem CID82244569
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine
SMILESCc1ccc2c(c1)CNCCN2CCCN(C)C
InChIInChI=1S/C15H25N3/c1-13-5-6-15-14(11-13)12-16-7-10-18(15)9-4-8-17(2)3/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyFPELRMFCCSNOFZ-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine (CID 82244569) is N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine is Cc1ccc2c(c1)CNCCN2CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine?
The InChIKey is FPELRMFCCSNOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-5-6-15-14(11-13)12-16-7-10-18(15)9-4-8-17(2)3/h5-6,11,16H,4,7-10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine?
N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine is sourced from PubChem (CID 82244569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).