1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine

C16H28N2O — CID 116905586

IUPAC1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
SMILESCC(N)CCC(c1ccc(OC(C)C)cc1)N(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)19-15-9-7-14(8-10-15)16(18(4)5)11-6-13(3)17/h7-10,12-13,16H,6,11,17H2,1-5H3
InChIKeyWAWPRQGEZALLGC-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.20
Rot. Bonds7

About 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine

1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine (PubChem CID 116905586) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
PubChem CID116905586
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
SMILESCC(N)CCC(c1ccc(OC(C)C)cc1)N(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)19-15-9-7-14(8-10-15)16(18(4)5)11-6-13(3)17/h7-10,12-13,16H,6,11,17H2,1-5H3
InChIKeyWAWPRQGEZALLGC-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 116850305
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
CID 16793435
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine (CID 116905586) is 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine is CC(N)CCC(c1ccc(OC(C)C)cc1)N(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
The InChIKey is WAWPRQGEZALLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)19-15-9-7-14(8-10-15)16(18(4)5)11-6-13(3)17/h7-10,12-13,16H,6,11,17H2,1-5H3.
What are the key properties of 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine is sourced from PubChem (CID 116905586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).