3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine

C15H31N3O — CID 61311300

IUPAC3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(CC2CCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-2-15(4-6-16)18-8-3-7-17(9-10-18)12-14-5-11-19-13-14/h14-15H,2-13,16H2,1H3
InChIKeyVJSITKURHVTQSE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.16
Rot. Bonds6

About 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine

3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 61311300) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID61311300
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(CC2CCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-2-15(4-6-16)18-8-3-7-17(9-10-18)12-14-5-11-19-13-14/h14-15H,2-13,16H2,1H3
InChIKeyVJSITKURHVTQSE-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine (CID 61311300) is 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine is CCC(CCN)N1CCCN(CC2CCOC2)CC1.
What is the InChIKey of 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is VJSITKURHVTQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-15(4-6-16)18-8-3-7-17(9-10-18)12-14-5-11-19-13-14/h14-15H,2-13,16H2,1H3.
What are the key properties of 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 61311300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).