N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine

C22H48N2O2 — CID 150619896

IUPACN'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine
SMILESCCCCCCCCC(CNCCCCCCN)C(C)(OCC)OCC
InChIInChI=1S/C22H48N2O2/c1-5-8-9-10-11-14-17-21(22(4,25-6-2)26-7-3)20-24-19-16-13-12-15-18-23/h21,24H,5-20,23H2,1-4H3
InChIKeyIVRFZVNMUGJAMC-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.25
Rot. Bonds20

About N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine

N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine (PubChem CID 150619896) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine
PubChem CID150619896
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC NameN'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine
SMILESCCCCCCCCC(CNCCCCCCN)C(C)(OCC)OCC
InChIInChI=1S/C22H48N2O2/c1-5-8-9-10-11-14-17-21(22(4,25-6-2)26-7-3)20-24-19-16-13-12-15-18-23/h21,24H,5-20,23H2,1-4H3
InChIKeyIVRFZVNMUGJAMC-UHFFFAOYSA-N
XLogP5.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
(4R)-N-ethyl-4-(triethoxymethyl)dodecan-1-amine
CID 150711202
3-[3-(6-aminohexylamino)-2-hydroxypropyl]-2,2-dimethylundecanoic acid
CID 88520539
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine
CID 150210184

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine?
The IUPAC name of N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine (CID 150619896) is N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine?
The canonical SMILES for N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine is CCCCCCCCC(CNCCCCCCN)C(C)(OCC)OCC.
What is the InChIKey of N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine?
The InChIKey is IVRFZVNMUGJAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O2/c1-5-8-9-10-11-14-17-21(22(4,25-6-2)26-7-3)20-24-19-16-13-12-15-18-23/h21,24H,5-20,23H2,1-4H3.
What are the key properties of N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine?
N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine has a molecular weight of 372.64 g/mol, XLogP of 5.25, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine is sourced from PubChem (CID 150619896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).