4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine

C14H29N3O — CID 114087166

IUPAC4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine
SMILESCCC1CN(C)CCCN1CC1(C)COCC1N
InChIInChI=1S/C14H29N3O/c1-4-12-8-16(3)6-5-7-17(12)10-14(2)11-18-9-13(14)15/h12-13H,4-11,15H2,1-3H3
InChIKeyJCFFLRWTVRSLTA-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds3

About 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine

4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine (PubChem CID 114087166) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine
PubChem CID114087166
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine
SMILESCCC1CN(C)CCCN1CC1(C)COCC1N
InChIInChI=1S/C14H29N3O/c1-4-12-8-16(3)6-5-7-17(12)10-14(2)11-18-9-13(14)15/h12-13H,4-11,15H2,1-3H3
InChIKeyJCFFLRWTVRSLTA-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine (CID 114087166) is 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine is CCC1CN(C)CCCN1CC1(C)COCC1N.
What is the InChIKey of 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine?
The InChIKey is JCFFLRWTVRSLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12-8-16(3)6-5-7-17(12)10-14(2)11-18-9-13(14)15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine?
4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 114087166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).