N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine

C17H30N2O2 — CID 79648025

IUPACN',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
SMILESCCCOc1ccc(OCCN(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H30N2O2/c1-5-11-20-15-6-8-16(9-7-15)21-12-10-19(4)14-17(2,3)13-18/h6-9H,5,10-14,18H2,1-4H3
InChIKeyDUASKJKBRMUZDH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds10

About N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine (PubChem CID 79648025) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
PubChem CID79648025
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
SMILESCCCOc1ccc(OCCN(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H30N2O2/c1-5-11-20-15-6-8-16(9-7-15)21-12-10-19(4)14-17(2,3)13-18/h6-9H,5,10-14,18H2,1-4H3
InChIKeyDUASKJKBRMUZDH-UHFFFAOYSA-N
XLogP2.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N'-[2-(3-bromophenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652362
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928708
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626
N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79653205
2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
CID 79662075
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide
CID 119991812
1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
CID 79389368
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
N'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine (CID 79648025) is N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine is CCCOc1ccc(OCCN(C)CC(C)(C)CN)cc1.
What is the InChIKey of N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine?
The InChIKey is DUASKJKBRMUZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-11-20-15-6-8-16(9-7-15)21-12-10-19(4)14-17(2,3)13-18/h6-9H,5,10-14,18H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 79648025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).