N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine

C19H44N4O — CID 21130743

IUPACN,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine
SMILESCCOCCCCCCC(CNCCCCN)CNCCCCN
InChIInChI=1S/C19H44N4O/c1-2-24-16-10-4-3-5-11-19(17-22-14-8-6-12-20)18-23-15-9-7-13-21/h19,22-23H,2-18,20-21H2,1H3
InChIKeyHGMACPUJHNRKGC-UHFFFAOYSA-N
MW344.59 g/mol
LogP2.25
Rot. Bonds20

About N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine

N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine (PubChem CID 21130743) has the molecular formula C19H44N4O and a molecular weight of 344.59 g/mol. Its IUPAC name is N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine
PubChem CID21130743
Molecular FormulaC19H44N4O
Molecular Weight344.59 g/mol
Exact Mass344.35
IUPAC NameN,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine
SMILESCCOCCCCCCC(CNCCCCN)CNCCCCN
InChIInChI=1S/C19H44N4O/c1-2-24-16-10-4-3-5-11-19(17-22-14-8-6-12-20)18-23-15-9-7-13-21/h19,22-23H,2-18,20-21H2,1H3
InChIKeyHGMACPUJHNRKGC-UHFFFAOYSA-N
XLogP2.25
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
4-ethoxybutan-1-amine;hydrochloride
CID 87771260
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
2-[(7-aminoheptylamino)methyl]propane-1,3-diamine
CID 159145188
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide
CID 89060292
N'-[4-(3-methylbutoxy)butoxymethyl]octane-1,8-diamine
CID 156819608

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine (CID 21130743) is N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine is CCOCCCCCCC(CNCCCCN)CNCCCCN.
What is the InChIKey of N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine?
The InChIKey is HGMACPUJHNRKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4O/c1-2-24-16-10-4-3-5-11-19(17-22-14-8-6-12-20)18-23-15-9-7-13-21/h19,22-23H,2-18,20-21H2,1H3.
What are the key properties of N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine?
N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine has a molecular weight of 344.59 g/mol, XLogP of 2.25, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine is sourced from PubChem (CID 21130743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).