N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine

C13H30N2O — CID 62427389

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC(C)CNC(C)C)C(C)COC
InChIInChI=1S/C13H30N2O/c1-7-15(13(5)10-16-6)9-12(4)8-14-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyOIZYPJKVVLNGHH-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds9

About N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine

N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62427389) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62427389
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC(C)CNC(C)C)C(C)COC
InChIInChI=1S/C13H30N2O/c1-7-15(13(5)10-16-6)9-12(4)8-14-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyOIZYPJKVVLNGHH-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-3-methoxy-2-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103226108
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine
CID 63619186
2-N,2-N-diethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62438662
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62429606
(2R)-3-methoxy-2-methylpropan-1-amine;(2R)-3-methoxy-2-methyl-N-propan-2-ylpropan-1-amine
CID 161351660
N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62411413
N'-ethyl-2-methoxy-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 106114714
2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
CID 64997501
7-methoxy-2-methyl-N-propan-2-ylheptan-1-amine
CID 104650066
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62422151
1-cyclohexyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanol
CID 113449107

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 62427389) is N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine is CCN(CC(C)CNC(C)C)C(C)COC.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is OIZYPJKVVLNGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-15(13(5)10-16-6)9-12(4)8-14-11(2)3/h11-14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62427389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).