N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine

C18H40N2O2 — CID 150867086

IUPACN'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
SMILESCCCCCCCCC(CCCNCCN)C(C)(OC)OC
InChIInChI=1S/C18H40N2O2/c1-5-6-7-8-9-10-12-17(18(2,21-3)22-4)13-11-15-20-16-14-19/h17,20H,5-16,19H2,1-4H3
InChIKeyKTGXWDZUZLWXOF-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.69
Rot. Bonds16

About N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine

N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine (PubChem CID 150867086) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
PubChem CID150867086
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC NameN'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
SMILESCCCCCCCCC(CCCNCCN)C(C)(OC)OC
InChIInChI=1S/C18H40N2O2/c1-5-6-7-8-9-10-12-17(18(2,21-3)22-4)13-11-15-20-16-14-19/h17,20H,5-16,19H2,1-4H3
InChIKeyKTGXWDZUZLWXOF-UHFFFAOYSA-N
XLogP3.69
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.69
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

N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
5-(1,1-dimethoxyethyl)nonane
CID 139962185
N'-henicosylethane-1,2-diamine
CID 22930907
N'-docosylethane-1,2-diamine
CID 18783196
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine
CID 150619896
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
CID 151238395
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
CID 151926052

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine (CID 150867086) is N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine is CCCCCCCCC(CCCNCCN)C(C)(OC)OC.
What is the InChIKey of N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine?
The InChIKey is KTGXWDZUZLWXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-5-6-7-8-9-10-12-17(18(2,21-3)22-4)13-11-15-20-16-14-19/h17,20H,5-16,19H2,1-4H3.
What are the key properties of N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine?
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine has a molecular weight of 316.53 g/mol, XLogP of 3.69, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine is sourced from PubChem (CID 150867086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).