2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine

C17H30N4 — CID 81248695

IUPAC2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCCN(C)CC2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C17H30N4/c1-14-11-16(21-8-6-7-20(5)9-10-21)15(12-18-14)13-19-17(2,3)4/h11-12,19H,6-10,13H2,1-5H3
InChIKeyAGVGWOMCGCXLMJ-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.42
Rot. Bonds3

About 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81248695) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81248695
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCCN(C)CC2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C17H30N4/c1-14-11-16(21-8-6-7-20(5)9-10-21)15(12-18-14)13-19-17(2,3)4/h11-12,19H,6-10,13H2,1-5H3
InChIKeyAGVGWOMCGCXLMJ-UHFFFAOYSA-N
XLogP2.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81248695) is 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(N2CCCN(C)CC2)c(CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is AGVGWOMCGCXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14-11-16(21-8-6-7-20(5)9-10-21)15(12-18-14)13-19-17(2,3)4/h11-12,19H,6-10,13H2,1-5H3.
What are the key properties of 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81248695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).