2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane

C15H32N2 — CID 138722839

IUPAC2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
SMILESCCCC1CN(C(C)C)CC(C)N(C(C)C)C1
InChIInChI=1S/C15H32N2/c1-7-8-15-10-16(12(2)3)9-14(6)17(11-15)13(4)5/h12-15H,7-11H2,1-6H3
InChIKeyPYWKUMFRDKBGEI-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane

2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane (PubChem CID 138722839) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane.

Molecular Properties

Compound Name2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
PubChem CID138722839
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
SMILESCCCC1CN(C(C)C)CC(C)N(C(C)C)C1
InChIInChI=1S/C15H32N2/c1-7-8-15-10-16(12(2)3)9-14(6)17(11-15)13(4)5/h12-15H,7-11H2,1-6H3
InChIKeyPYWKUMFRDKBGEI-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
The IUPAC name of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane (CID 138722839) is 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane.
What is the SMILES notation for 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
The canonical SMILES for 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane is CCCC1CN(C(C)C)CC(C)N(C(C)C)C1.
What is the InChIKey of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
The InChIKey is PYWKUMFRDKBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-8-15-10-16(12(2)3)9-14(6)17(11-15)13(4)5/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane is sourced from PubChem (CID 138722839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).