N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine

C15H31NO — CID 114118763

IUPACN-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(CC(C)C)CC(C)C)C1
InChIInChI=1S/C15H31NO/c1-6-17-15-9-14(10-15)16-13(7-11(2)3)8-12(4)5/h11-16H,6-10H2,1-5H3
InChIKeyGCPSUKWPOUTXAU-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.60
Rot. Bonds8

About N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine

N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine (PubChem CID 114118763) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
PubChem CID114118763
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(CC(C)C)CC(C)C)C1
InChIInChI=1S/C15H31NO/c1-6-17-15-9-14(10-15)16-13(7-11(2)3)8-12(4)5/h11-16H,6-10H2,1-5H3
InChIKeyGCPSUKWPOUTXAU-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine
CID 43207477
3-(4-methylpentoxy)-N-propylcyclobutan-1-amine
CID 66357425
N-ethyl-3-(4-methylpentoxy)cyclobutan-1-amine
CID 66358644
4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine
CID 89193456
3-methoxy-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 104584492
3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine
CID 104587826
N-(3-methylbutan-2-yl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 115970375
4-Ethoxy-2,6-di(propan-2-yl)piperidine
CID 121244488
N-methyl-3-(2-methylpentan-2-yloxy)cyclobutan-1-amine
CID 129140722
N-methyl-3-(3-methylhexan-3-yloxy)cyclobutan-1-amine
CID 129276442
N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine
CID 138467253
4-ethoxy-N-ethyl-2,6-dimethylheptan-3-amine
CID 140101401

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine (CID 114118763) is N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine is CCOC1CC(NC(CC(C)C)CC(C)C)C1.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine?
The InChIKey is GCPSUKWPOUTXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-17-15-9-14(10-15)16-13(7-11(2)3)8-12(4)5/h11-16H,6-10H2,1-5H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine?
N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 114118763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).