N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine

C13H27NO — CID 103987176

IUPACN-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCCNC(CC(C)CC)CC1CCOC1
InChIInChI=1S/C13H27NO/c1-4-11(3)8-13(14-5-2)9-12-6-7-15-10-12/h11-14H,4-10H2,1-3H3
InChIKeyBZKKTEFAZNOTEV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine

N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine (PubChem CID 103987176) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
PubChem CID103987176
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCCNC(CC(C)CC)CC1CCOC1
InChIInChI=1S/C13H27NO/c1-4-11(3)8-13(14-5-2)9-12-6-7-15-10-12/h11-14H,4-10H2,1-3H3
InChIKeyBZKKTEFAZNOTEV-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-cyclopentyl-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987304
1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine
CID 103987258
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine (CID 103987176) is N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine is CCNC(CC(C)CC)CC1CCOC1.
What is the InChIKey of N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine?
The InChIKey is BZKKTEFAZNOTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11(3)8-13(14-5-2)9-12-6-7-15-10-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine?
N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine is sourced from PubChem (CID 103987176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).