N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine

C18H31N3 — CID 103314051

IUPACN,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)C1CCc2ccccc2NC1
InChIInChI=1S/C18H31N3/c1-15(2)14-21(12-11-20(3)4)17-10-9-16-7-5-6-8-18(16)19-13-17/h5-8,15,17,19H,9-14H2,1-4H3
InChIKeyYFKBHEANHMMCNU-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.93
Rot. Bonds6

About N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine

N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine (PubChem CID 103314051) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
PubChem CID103314051
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)C1CCc2ccccc2NC1
InChIInChI=1S/C18H31N3/c1-15(2)14-21(12-11-20(3)4)17-10-9-16-7-5-6-8-18(16)19-13-17/h5-8,15,17,19H,9-14H2,1-4H3
InChIKeyYFKBHEANHMMCNU-UHFFFAOYSA-N
XLogP2.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine with MolForge

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Related Compounds

N-(2-methylpropyl)-N-pentan-3-yl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314187
(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 124681115
N-(cyclopropylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314157
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine
CID 63694889
N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314121
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314140
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314167
N-[(2-bromophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314084
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894730
N-cyclopropyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901286
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine (CID 103314051) is N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)C1CCc2ccccc2NC1.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine?
The InChIKey is YFKBHEANHMMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)14-21(12-11-20(3)4)17-10-9-16-7-5-6-8-18(16)19-13-17/h5-8,15,17,19H,9-14H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine?
N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 103314051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).