ethane;4-methoxy-N-methyl-N-propylbutan-2-amine

C11H27NO — CID 153329732

IUPACethane;4-methoxy-N-methyl-N-propylbutan-2-amine
SMILESCC.CCCN(C)C(C)CCOC
InChIInChI=1S/C9H21NO.C2H6/c1-5-7-10(3)9(2)6-8-11-4;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyYVQAXHCCVNZQQG-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.78
Rot. Bonds6

About ethane;4-methoxy-N-methyl-N-propylbutan-2-amine

ethane;4-methoxy-N-methyl-N-propylbutan-2-amine (PubChem CID 153329732) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;4-methoxy-N-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Nameethane;4-methoxy-N-methyl-N-propylbutan-2-amine
PubChem CID153329732
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;4-methoxy-N-methyl-N-propylbutan-2-amine
SMILESCC.CCCN(C)C(C)CCOC
InChIInChI=1S/C9H21NO.C2H6/c1-5-7-10(3)9(2)6-8-11-4;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyYVQAXHCCVNZQQG-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxybutan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915876
2-[4-methoxybutan-2-yl(methyl)amino]acetonitrile
CID 115687898
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
ethane;1-methoxy-3-methylbutane
CID 144580604

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N-methyl-N-propylbutan-2-amine?
The IUPAC name of ethane;4-methoxy-N-methyl-N-propylbutan-2-amine (CID 153329732) is ethane;4-methoxy-N-methyl-N-propylbutan-2-amine.
What is the SMILES notation for ethane;4-methoxy-N-methyl-N-propylbutan-2-amine?
The canonical SMILES for ethane;4-methoxy-N-methyl-N-propylbutan-2-amine is CC.CCCN(C)C(C)CCOC.
What is the InChIKey of ethane;4-methoxy-N-methyl-N-propylbutan-2-amine?
The InChIKey is YVQAXHCCVNZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C2H6/c1-5-7-10(3)9(2)6-8-11-4;1-2/h9H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;4-methoxy-N-methyl-N-propylbutan-2-amine?
ethane;4-methoxy-N-methyl-N-propylbutan-2-amine has a molecular weight of 189.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 153329732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).