N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine

C12H27NO2 — CID 142902659

IUPACN-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCN(CCC(C)C)C(COC)COC
InChIInChI=1S/C12H27NO2/c1-6-13(8-7-11(2)3)12(9-14-4)10-15-5/h11-12H,6-10H2,1-5H3
InChIKeySYXJFZWUHNZNIK-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.02
Rot. Bonds9

About N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine

N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 142902659) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID142902659
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCN(CCC(C)C)C(COC)COC
InChIInChI=1S/C12H27NO2/c1-6-13(8-7-11(2)3)12(9-14-4)10-15-5/h11-12H,6-10H2,1-5H3
InChIKeySYXJFZWUHNZNIK-UHFFFAOYSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
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
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butan-1-ol
CID 64828303
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103226184
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
N,N-diethyl-1,3-bis(2-methoxyethoxy)propan-2-amine
CID 176738273
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
ethyl 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]butanoate
CID 63053382
N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine
CID 63619186
N,N-bis(2-methoxyethyl)-1,3-di(propan-2-yloxy)propan-2-amine
CID 176738332
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
CID 63030258

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine (CID 142902659) is N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine is CCN(CCC(C)C)C(COC)COC.
What is the InChIKey of N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is SYXJFZWUHNZNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-13(8-7-11(2)3)12(9-14-4)10-15-5/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine?
N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 142902659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).