2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine

C16H28N4 — CID 62279824

IUPAC2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCN1CCCN(c2cc(CNC(C)(C)C)ccn2)CC1
InChIInChI=1S/C16H28N4/c1-16(2,3)18-13-14-6-7-17-15(12-14)20-9-5-8-19(4)10-11-20/h6-7,12,18H,5,8-11,13H2,1-4H3
InChIKeySQTCVEWMGYCTIM-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62279824) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62279824
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCN1CCCN(c2cc(CNC(C)(C)C)ccn2)CC1
InChIInChI=1S/C16H28N4/c1-16(2,3)18-13-14-6-7-17-15(12-14)20-9-5-8-19(4)10-11-20/h6-7,12,18H,5,8-11,13H2,1-4H3
InChIKeySQTCVEWMGYCTIM-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63619592
N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289099
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
CID 58709836
5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120969659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 62279824) is 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine is CN1CCCN(c2cc(CNC(C)(C)C)ccn2)CC1.
What is the InChIKey of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is SQTCVEWMGYCTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)18-13-14-6-7-17-15(12-14)20-9-5-8-19(4)10-11-20/h6-7,12,18H,5,8-11,13H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62279824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).