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

C14H29N3O — CID 63558335

IUPAC3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(C2CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-13(4-6-15)16-7-3-8-17(10-9-16)14-5-11-18-12-14/h13-14H,2-12,15H2,1H3
InChIKeyLWFFILGFFQITCW-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds5

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

3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 63558335) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID63558335
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(C2CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-13(4-6-15)16-7-3-8-17(10-9-16)14-5-11-18-12-14/h13-14H,2-12,15H2,1H3
InChIKeyLWFFILGFFQITCW-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine
CID 107134609
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79940321
1-methyl-4-(oxolan-3-yl)-1,4-diazepane
CID 143294368
2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine
CID 107134608
2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067
1-(oxolan-3-yl)-4-propylpiperazine
CID 178050247
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
3-(4-ethoxypiperidin-1-yl)pentan-1-amine
CID 61218236
3-butan-2-yl-1-(oxolan-3-yl)-1,4-diazepane
CID 64858241
2-(1-cyclopropylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926112
1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
CID 63846947
3-(4-octyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43253288

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine (CID 63558335) is 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine is CCC(CCN)N1CCCN(C2CCOC2)CC1.
What is the InChIKey of 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is LWFFILGFFQITCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-13(4-6-15)16-7-3-8-17(10-9-16)14-5-11-18-12-14/h13-14H,2-12,15H2,1H3.
What are the key properties of 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine?
3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 63558335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).