N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine

C20H28N4 — CID 120845518

IUPACN-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine
SMILESCN(c1ccccc1)c1ccc(CN(C)C2CCCNCC2)cn1
InChIInChI=1S/C20H28N4/c1-23(18-9-6-13-21-14-12-18)16-17-10-11-20(22-15-17)24(2)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,18,21H,6,9,12-14,16H2,1-2H3
InChIKeyKPFTZRIQPNMQFG-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine

N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine (PubChem CID 120845518) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine
PubChem CID120845518
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine
SMILESCN(c1ccccc1)c1ccc(CN(C)C2CCCNCC2)cn1
InChIInChI=1S/C20H28N4/c1-23(18-9-6-13-21-14-12-18)16-17-10-11-20(22-15-17)24(2)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,18,21H,6,9,12-14,16H2,1-2H3
InChIKeyKPFTZRIQPNMQFG-UHFFFAOYSA-N
XLogP3.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine with MolForge

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Related Compounds

N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836616
N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
CID 107174074
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 71641689
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride
CID 120845420
N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
CID 120839419
N-ethyl-N-phenylazepan-4-amine
CID 112690283
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
CID 104974370

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine?
The IUPAC name of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine (CID 120845518) is N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine.
What is the SMILES notation for N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine?
The canonical SMILES for N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine is CN(c1ccccc1)c1ccc(CN(C)C2CCCNCC2)cn1.
What is the InChIKey of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine?
The InChIKey is KPFTZRIQPNMQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-23(18-9-6-13-21-14-12-18)16-17-10-11-20(22-15-17)24(2)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,18,21H,6,9,12-14,16H2,1-2H3.
What are the key properties of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine?
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine has a molecular weight of 324.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine is sourced from PubChem (CID 120845518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).