5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine

C14H29NO — CID 115723984

IUPAC5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
SMILESCCC(C)CC(CC)NC(C)C1CCOC1
InChIInChI=1S/C14H29NO/c1-5-11(3)9-14(6-2)15-12(4)13-7-8-16-10-13/h11-15H,5-10H2,1-4H3
InChIKeyCYBRKFUHXOVVEZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine

5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine (PubChem CID 115723984) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
PubChem CID115723984
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
SMILESCCC(C)CC(CC)NC(C)C1CCOC1
InChIInChI=1S/C14H29NO/c1-5-11(3)9-14(6-2)15-12(4)13-7-8-16-10-13/h11-15H,5-10H2,1-4H3
InChIKeyCYBRKFUHXOVVEZ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
3-(1-methoxy-3-methylpentyl)oxolane
CID 177151433
N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103987176
2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
3-butan-2-yloxolane;ethane
CID 143988733

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine?
The IUPAC name of 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine (CID 115723984) is 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine.
What is the SMILES notation for 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine?
The canonical SMILES for 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine is CCC(C)CC(CC)NC(C)C1CCOC1.
What is the InChIKey of 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine?
The InChIKey is CYBRKFUHXOVVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-11(3)9-14(6-2)15-12(4)13-7-8-16-10-13/h11-15H,5-10H2,1-4H3.
What are the key properties of 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine?
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine is sourced from PubChem (CID 115723984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).