2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine

C17H30N2O — CID 107441417

IUPAC2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine
SMILESCC(C)Oc1ccc(C(C)NCC(CN)C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-12(2)16(10-18)11-19-14(5)15-6-8-17(9-7-15)20-13(3)4/h6-9,12-14,16,19H,10-11,18H2,1-5H3
InChIKeyZHPCKNVTJQWFRE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.36
Rot. Bonds8

About 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine

2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 107441417) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine
PubChem CID107441417
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine
SMILESCC(C)Oc1ccc(C(C)NCC(CN)C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-12(2)16(10-18)11-19-14(5)15-6-8-17(9-7-15)20-13(3)4/h6-9,12-14,16,19H,10-11,18H2,1-5H3
InChIKeyZHPCKNVTJQWFRE-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
CID 79537975
N'-[1-(3,4-dimethoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441990
1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
CID 103788003
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
CID 103784440
N'-[(1S)-1-(3-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442499
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 107441658
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine (CID 107441417) is 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine is CC(C)Oc1ccc(C(C)NCC(CN)C(C)C)cc1.
What is the InChIKey of 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is ZHPCKNVTJQWFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)16(10-18)11-19-14(5)15-6-8-17(9-7-15)20-13(3)4/h6-9,12-14,16,19H,10-11,18H2,1-5H3.
What are the key properties of 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine?
2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 107441417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).