2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine

C15H33N3 — CID 114087746

IUPAC2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)N1CCCN(C)CC1C
InChIInChI=1S/C15H33N3/c1-6-8-15(11-16-13(2)3)18-10-7-9-17(5)12-14(18)4/h13-16H,6-12H2,1-5H3
InChIKeyFQVDYMLWFONNEN-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds6

About 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine

2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 114087746) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine
PubChem CID114087746
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)N1CCCN(C)CC1C
InChIInChI=1S/C15H33N3/c1-6-8-15(11-16-13(2)3)18-10-7-9-17(5)12-14(18)4/h13-16H,6-12H2,1-5H3
InChIKeyFQVDYMLWFONNEN-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine (CID 114087746) is 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)N1CCCN(C)CC1C.
What is the InChIKey of 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is FQVDYMLWFONNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-8-15(11-16-13(2)3)18-10-7-9-17(5)12-14(18)4/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine?
2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114087746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).