7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane

C14H30N2O — CID 64871391

IUPAC7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(CCOC(C)C)C(C)CCN1
InChIInChI=1S/C14H30N2O/c1-5-6-14-11-16(9-10-17-12(2)3)13(4)7-8-15-14/h12-15H,5-11H2,1-4H3
InChIKeyLVFNTYRXMSLRLY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds6

About 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane

7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane (PubChem CID 64871391) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane
PubChem CID64871391
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(CCOC(C)C)C(C)CCN1
InChIInChI=1S/C14H30N2O/c1-5-6-14-11-16(9-10-17-12(2)3)13(4)7-8-15-14/h12-15H,5-11H2,1-4H3
InChIKeyLVFNTYRXMSLRLY-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane?
The IUPAC name of 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane (CID 64871391) is 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane?
The canonical SMILES for 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane is CCCC1CN(CCOC(C)C)C(C)CCN1.
What is the InChIKey of 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane?
The InChIKey is LVFNTYRXMSLRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-14-11-16(9-10-17-12(2)3)13(4)7-8-15-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane?
7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane has a molecular weight of 242.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane is sourced from PubChem (CID 64871391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).