3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine

C14H29N3O — CID 65158558

IUPAC3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
SMILESNCCCN1CCCN(CCC2CCCO2)CC1
InChIInChI=1S/C14H29N3O/c15-6-2-7-16-8-3-9-17(12-11-16)10-5-14-4-1-13-18-14/h14H,1-13,15H2
InChIKeyFTQRIIAXCWKJED-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds6

About 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine

3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine (PubChem CID 65158558) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
PubChem CID65158558
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
SMILESNCCCN1CCCN(CCC2CCCO2)CC1
InChIInChI=1S/C14H29N3O/c15-6-2-7-16-8-3-9-17(12-11-16)10-5-14-4-1-13-18-14/h14H,1-13,15H2
InChIKeyFTQRIIAXCWKJED-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 16768404
2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158752
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
CID 43253069
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
CID 43591824
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
CID 77057944

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine (CID 65158558) is 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine is NCCCN1CCCN(CCC2CCCO2)CC1.
What is the InChIKey of 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
The InChIKey is FTQRIIAXCWKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c15-6-2-7-16-8-3-9-17(12-11-16)10-5-14-4-1-13-18-14/h14H,1-13,15H2.
What are the key properties of 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine is sourced from PubChem (CID 65158558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).