N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine

C13H27NO — CID 115894858

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
SMILESCOCCC1(CNC(C)CC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-11(2)9-12(3)14-10-13(5-6-13)7-8-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyYEFRWOFQXBXYJD-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds8

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine (PubChem CID 115894858) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
PubChem CID115894858
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
SMILESCOCCC1(CNC(C)CC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-11(2)9-12(3)14-10-13(5-6-13)7-8-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyYEFRWOFQXBXYJD-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
CID 103903995
1-methoxy-N-[(1-propylcyclopropyl)methyl]propan-2-amine
CID 115695256
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
CID 115728783
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
CID 115728811
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-butan-2-yl-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]propanamide
CID 114112877
2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentanamide
CID 103950711
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 114112889
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 103903840
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine (CID 115894858) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine is COCCC1(CNC(C)CC(C)C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine?
The InChIKey is YEFRWOFQXBXYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)9-12(3)14-10-13(5-6-13)7-8-15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 115894858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).