N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine

C23H51N3O5 — CID 88853551

IUPACN'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine
SMILESCCCOCCOCCOCCOCCOCCN(CCCCCN)CCCCCN
InChIInChI=1S/C23H51N3O5/c1-2-14-27-16-18-29-20-22-31-23-21-30-19-17-28-15-13-26(11-7-3-5-9-24)12-8-4-6-10-25/h2-25H2,1H3
InChIKeyVDDJYGHCRNYAKU-UHFFFAOYSA-N
MW449.68 g/mol
LogP2.04
Rot. Bonds27

About N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine

N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine (PubChem CID 88853551) has the molecular formula C23H51N3O5 and a molecular weight of 449.68 g/mol. Its IUPAC name is N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine
PubChem CID88853551
Molecular FormulaC23H51N3O5
Molecular Weight449.68 g/mol
Exact Mass449.38
IUPAC NameN'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine
SMILESCCCOCCOCCOCCOCCOCCN(CCCCCN)CCCCCN
InChIInChI=1S/C23H51N3O5/c1-2-14-27-16-18-29-20-22-31-23-21-30-19-17-28-15-13-26(11-7-3-5-9-24)12-8-4-6-10-25/h2-25H2,1H3
InChIKeyVDDJYGHCRNYAKU-UHFFFAOYSA-N
XLogP2.04
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine
CID 91475328
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
4-[2-(diethylamino)ethoxy]butan-1-amine
CID 62459330
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine
CID 171750134

Frequently Asked Questions

What is the IUPAC name of N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine?
The IUPAC name of N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine (CID 88853551) is N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine.
What is the SMILES notation for N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine?
The canonical SMILES for N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine is CCCOCCOCCOCCOCCOCCN(CCCCCN)CCCCCN.
What is the InChIKey of N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine?
The InChIKey is VDDJYGHCRNYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51N3O5/c1-2-14-27-16-18-29-20-22-31-23-21-30-19-17-28-15-13-26(11-7-3-5-9-24)12-8-4-6-10-25/h2-25H2,1H3.
What are the key properties of N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine?
N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine has a molecular weight of 449.68 g/mol, XLogP of 2.04, 27 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine is sourced from PubChem (CID 88853551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).