5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine

C15H33N3O — CID 65176193

IUPAC5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCOCCCN1CCCN(CCCCCN)CC1
InChIInChI=1S/C15H33N3O/c1-2-19-15-7-12-18-11-6-10-17(13-14-18)9-5-3-4-8-16/h2-16H2,1H3
InChIKeyQJISFLBPFJPNDL-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.55
Rot. Bonds10

About 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine

5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 65176193) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID65176193
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCOCCCN1CCCN(CCCCCN)CC1
InChIInChI=1S/C15H33N3O/c1-2-19-15-7-12-18-11-6-10-17(13-14-18)9-5-3-4-8-16/h2-16H2,1H3
InChIKeyQJISFLBPFJPNDL-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
5-[4-(2-ethoxyethylsulfonyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 63245672
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine (CID 65176193) is 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine is CCOCCCN1CCCN(CCCCCN)CC1.
What is the InChIKey of 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is QJISFLBPFJPNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-2-19-15-7-12-18-11-6-10-17(13-14-18)9-5-3-4-8-16/h2-16H2,1H3.
What are the key properties of 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine?
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 1.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 65176193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).